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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)CC3=CC=CC=C3

InChI

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