N-(2,4-dimethylphenyl)-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-(4-pyrrolidin-1-ylcarbonylpiperazin-1-yl)benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(pyrrolidine-1-carbonyl)piperazino]benzenesulfonamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N5O5S/c1-17-5-7-20(18(2)15-17)24-34(32,33)19-6-8-21(22(16-19)28(30)31)25-11-13-27(14-12-25)23(29)26-9-3-4-10-26/h5-8,15-16,24H,3-4,9-14H2,1-2H3