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

Systemtic Name: ethyl N-[4-methyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-methyl-phenyl]sulfamate CAS Name: N-[4-methyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-methylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-methyl-phenyl]sulfamic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S/c1-3-26-27(24,25)22-19-10-9-16(2)13-20(19)23-12-11-21-18(15-23)14-17-7-5-4-6-8-17/h4-10,13,18,21-22H,3,11-12,14-15H2,1-2H3