N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]-4-nitro-benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-16-4-3-5-20(17(16)2)23-12-14-24(15-13-23)21(26)10-11-22-31(29,30)19-8-6-18(7-9-19)25(27)28/h3-9,22H,10-15H2,1-2H3