N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]-2-methylphenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2C)C(=O)N3CCC4=C(C3)C=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2C)C(=O)N3CCC4=C(C3)C=CS4

InChI

InChI=1S/C22H21N3O5S2/c1-14-6-7-17(25(27)28)12-21(14)32(29,30)23-19-5-3-4-18(15(19)2)22(26)24-10-8-20-16(13-24)9-11-31-20/h3-7,9,11-12,23H,8,10,13H2,1-2H3