methyl N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate

Systemtic Name: methyl N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-isobutyl-phenyl]sulfamate CAS Name: N-[4-(2-methylpropyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-(2-methylpropyl)phenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-isobutyl-phenyl]sulfamic acid methyl ester Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3S/c1-17(2)13-19-9-10-21(24-29(26,27)28-3)22(15-19)25-12-11-23-20(16-25)14-18-7-5-4-6-8-18/h4-10,15,17,20,23-24H,11-14,16H2,1-3H3