3-[2-[(4-ethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: 3-[2-[(4-ethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: N-(benzenesulfonyl)-3-[2-[(4-ethoxyphenyl)methylamino]-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-(benzenesulfonyl)-3-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N-(benzenesulfonyl)-3-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-besyl-3-[2-[(4-ethoxybenzyl)amino]-2-keto-ethyl]piperazine-1-carboxamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5S/c1-2-31-19-10-8-17(9-11-19)15-24-21(27)14-18-16-26(13-12-23-18)22(28)25-32(29,30)20-6-4-3-5-7-20/h3-11,18,23H,2,12-16H2,1H3,(H,24,27)(H,25,28)