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

Systemtic Name: methyl N-[2-(3-ethoxypiperazin-1-yl)-4-(phenylmethyl)phenyl]sulfamate Openeye Name: methyl N-[4-benzyl-2-(3-ethoxypiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-4-(phenylmethyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-benzyl-2-(3-ethoxypiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-ethoxypiperazino)phenyl]sulfamic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)OC

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-3-27-20-15-23(12-11-21-20)19-14-17(13-16-7-5-4-6-8-16)9-10-18(19)22-28(24,25)26-2/h4-10,14,20-22H,3,11-13,15H2,1-2H3