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

Systemtic Name: methyl 6-[(3-methylphenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(m-tolylmethyl)-2-(1-piperidylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(3-methylphenyl)methyl]-2-(1-piperidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(3-methylphenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(3-methylbenzyl)-2-piperidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H28N2O4S2/c1-16-7-6-8-17(13-16)14-23-12-9-18-19(15-23)29-22(20(18)21(25)28-2)30(26,27)24-10-4-3-5-11-24/h6-8,13H,3-5,9-12,14-15H2,1-2H3