methyl 6-[(4-acetamidophenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(4-acetamidophenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(4-acetamidophenyl)methyl]-2-(1-piperidylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(4-acetamidophenyl)methyl]-2-(1-piperidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-acetamidophenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(4-acetamidobenzyl)-2-piperidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H29N3O5S2/c1-16(27)24-18-8-6-17(7-9-18)14-25-13-10-19-20(15-25)32-23(21(19)22(28)31-2)33(29,30)26-11-4-3-5-12-26/h6-9H,3-5,10-15H2,1-2H3,(H,24,27)