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

Systemtic Name: ethyl N-[2-(3-ethoxypiperazin-1-yl)-4-(phenylmethyl)phenyl]sulfamate Openeye Name: ethyl N-[4-benzyl-2-(3-ethoxypiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-4-(phenylmethyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-benzyl-2-(3-ethoxypiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-ethoxypiperazino)phenyl]sulfamic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-27-21-16-24(13-12-22-21)20-15-18(14-17-8-6-5-7-9-17)10-11-19(20)23-29(25,26)28-4-2/h5-11,15,21-23H,3-4,12-14,16H2,1-2H3