N-(2-dimethylaminoethyl)-4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[4-(4-acetylphenyl)-1-piperazinyl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-acetylphenyl)piperazino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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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)NCCN(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)NCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c1-17(28)18-4-6-19(7-5-18)25-12-14-26(15-13-25)21-9-8-20(16-22(21)27(29)30)33(31,32)23-10-11-24(2)3/h4-9,16,23H,10-15H2,1-3H3