4-[(E)-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(E)-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[(E)-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzenesulfonamide CAS Name: 4-[(E)-3-[4-(2-nitrophenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(E)-3-[4-(2-nitrophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[(E)-3-keto-3-[4-(2-nitrophenyl)piperazino]prop-1-enyl]benzenesulfonamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-17(2)23-32(30,31)19-10-7-18(8-11-19)9-12-22(27)25-15-13-24(14-16-25)20-5-3-4-6-21(20)26(28)29/h3-12,17,23H,13-16H2,1-2H3/b12-9+