[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamic acid

Systemtic Name: [4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [2-(3-benzylpiperazin-1-yl)-4-isobutyl-phenyl]sulfamic acid CAS Name: [4-(2-methylpropyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [2-(3-benzylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamic acid Traditional Name: [2-(3-benzylpiperazino)-4-isobutyl-phenyl]sulfamic acid Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O3S/c1-16(2)12-18-8-9-20(23-28(25,26)27)21(14-18)24-11-10-22-19(15-24)13-17-6-4-3-5-7-17/h3-9,14,16,19,22-23H,10-13,15H2,1-2H3,(H,25,26,27)