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

Systemtic Name: N-(2-dimethylaminoethyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-4-[4-(2,3-dimethylphenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O4S/c1-17-6-5-7-20(18(17)2)25-12-14-26(15-13-25)21-9-8-19(16-22(21)27(28)29)32(30,31)23-10-11-24(3)4/h5-9,16,23H,10-15H2,1-4H3