4-[[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[[3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[[3-keto-3-[4-(m-tolyl)piperazino]propyl]amino]-3-nitro-benzenesulfonamide Formula: C20H25N5O5S MolecularWeight: 447.508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S/c1-15-3-2-4-16(13-15)23-9-11-24(12-10-23)20(26)7-8-22-18-6-5-17(31(21,29)30)14-19(18)25(27)28/h2-6,13-14,22H,7-12H2,1H3,(H2,21,29,30)