1-[3-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]butyl]-4-phenylpiperazine

Properties Image MNX_ID MNXM340976 reference chebi:112795 formula C24H32N6O2S global charge 0 mol weight 468.627 InChIKey YKMICNZALZAKQP-UHFFFAOYSA-N InChI InChI=1S/C24H32N6O2S/c1-19(2)17-23(29-15-13-28(14-16-29)21-7-5-4-6-8-21)24-25-26-27-30(24)18-33(31,32)22-11-9-20(3)10-12-22/h4-12,19,23H,13-18H2,1-3H3 SMILES CC1=CC=C(S(=O)(=O)CN2N=NN=C2C(CC(C)C)N2CCN(C3=CC=CC=C3)CC2)C=C1 MNX internals InChI (mnx) InChI=1/C24H32N6O2S/c1-19(2)17-23(29-15-13-28(14-16-29)21-7-5-4-6-8-21)24-25-26-27-30(24)18-33(31,32)22-11-9-20(3)10-12-22/h4-12,19,23H,13-18H2,1-3H3/t23? SMILES (mnx) [CH3:1][CH:19]([CH3:2])[CH2:17][CH:23]([C:24]1=[N:25][N:26]=[N:27][N:30]1[CH2:18][S:33]([C:22]1=[CH:12][CH:10]=[C:20]([CH3:3])[CH:9]=[CH:11]1)(=[O:31])=[O:32])[N:29]1[CH2:15][CH2:13][N:28]([C:21]2=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]2)[CH2:14][CH2:16]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0