N-ethyl-4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]benzenesulfonamide

Systemtic Name: N-ethyl-4-[(E)-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]prop-1-enyl]benzenesulfonamide Openeye Name: 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxo-prop-1-enyl]-N-ethyl-benzenesulfonamide CAS Name: N-ethyl-4-[(E)-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]prop-1-enyl]benzenesulfonamide IUPAC Name: 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-N-ethylbenzenesulfonamide Traditional Name: 4-[(E)-3-(4-benzylpiperazino)-3-keto-prop-1-enyl]-N-ethyl-benzenesulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-2-23-29(27,28)21-11-8-19(9-12-21)10-13-22(26)25-16-14-24(15-17-25)18-20-6-4-3-5-7-20/h3-13,23H,2,14-18H2,1H3/b13-10+