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

Systemtic Name: 4-methyl-3-nitro-N-[4-(2-thiophen-3-ylpyrrolidin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[4-[oxo-[2-(3-thiophenyl)-1-pyrrolidinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[4-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[4-[2-(3-thienyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3C4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3C4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/c1-15-4-9-19(13-21(15)25(27)28)32(29,30)23-18-7-5-16(6-8-18)22(26)24-11-2-3-20(24)17-10-12-31-14-17/h4-10,12-14,20,23H,2-3,11H2,1H3