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

Systemtic Name: methyl 6-[(3,5-dimethylphenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(3,5-dimethylphenyl)methyl]-2-(1-piperidylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(3,5-dimethylphenyl)methyl]-2-(1-piperidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(3,5-dimethylphenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(3,5-dimethylbenzyl)-2-piperidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S2/c1-16-11-17(2)13-18(12-16)14-24-10-7-19-20(15-24)30-23(21(19)22(26)29-3)31(27,28)25-8-5-4-6-9-25/h11-13H,4-10,14-15H2,1-3H3