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

Systemtic Name: methyl N-[4-methyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-methyl-phenyl]sulfamate CAS Name: N-[4-methyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-benzylpiperazin-1-yl)-4-methylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-methyl-phenyl]sulfamic acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-15-8-9-18(21-26(23,24)25-2)19(12-15)22-11-10-20-17(14-22)13-16-6-4-3-5-7-16/h3-9,12,17,20-21H,10-11,13-14H2,1-2H3