methyl 3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoate

Systemtic Name: methyl 3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoate Openeye Name: methyl 3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoate CAS Name: 3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoate Traditional Name: 3-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)sulfonyl]benzoic acid methyl ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2C4=CC=CC=C4)C=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC3=C(C2C4=CC=CC=C4)C=CS3

InChI

InChI=1S/C21H19NO4S2/c1-26-21(23)16-8-5-9-17(14-16)28(24,25)22-12-10-19-18(11-13-27-19)20(22)15-6-3-2-4-7-15/h2-9,11,13-14,20H,10,12H2,1H3