4-ethoxy-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[3-[4-(4-nitrophenyl)-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[3-keto-3-[4-(4-nitrophenyl)piperazino]propyl]benzenesulfonamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S/c1-2-31-19-7-9-20(10-8-19)32(29,30)22-12-11-21(26)24-15-13-23(14-16-24)17-3-5-18(6-4-17)25(27)28/h3-10,22H,2,11-16H2,1H3