N-(2,4-dimethylphenyl)-3-nitro-4-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)amino]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(2-oxo-2-pyrrolidin-1-yl-ethyl)amino]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[[2-oxo-2-(1-pyrrolidinyl)ethyl]amino]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[(2-keto-2-pyrrolidino-ethyl)amino]-3-nitro-benzenesulfonamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC(=O)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H24N4O5S/c1-14-5-7-17(15(2)11-14)22-30(28,29)16-6-8-18(19(12-16)24(26)27)21-13-20(25)23-9-3-4-10-23/h5-8,11-12,21-22H,3-4,9-10,13H2,1-2H3