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

Systemtic Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]-2-methylphenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-2-nitro-benzenesulfonamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCC4=C(C3)C=CS4

Isomeric SMILES

CC1=C(C=CC=C1NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCC4=C(C3)C=CS4

InChI

InChI=1S/C21H19N3O5S2/c1-14-16(21(25)23-11-9-19-15(13-23)10-12-30-19)5-4-6-17(14)22-31(28,29)20-8-3-2-7-18(20)24(26)27/h2-8,10,12,22H,9,11,13H2,1H3