N-[3-(dimethylamino)propyl]-4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(4-acetylphenyl)-1-piperazinyl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-acetylphenyl)piperazino]-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O5S/c1-18(29)19-5-7-20(8-6-19)26-13-15-27(16-14-26)22-10-9-21(17-23(22)28(30)31)34(32,33)24-11-4-12-25(2)3/h5-10,17,24H,4,11-16H2,1-3H3