3-nitro-N-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 3-nitro-N-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 3-nitro-N-[4-[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 3-nitro-N-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C4=CSC=C4

InChI

InChI=1S/C21H19N3O5S2/c25-21(23-11-2-5-20(23)16-10-12-30-14-16)15-6-8-17(9-7-15)22-31(28,29)19-4-1-3-18(13-19)24(26)27/h1,3-4,6-10,12-14,20,22H,2,5,11H2