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

Systemtic Name: methyl 6-[(4-ethylphenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-[(4-ethylphenyl)methyl]-2-(1-piperidylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-[(4-ethylphenyl)methyl]-2-(1-piperidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-ethylphenyl)methyl]-2-piperidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(4-ethylbenzyl)-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:

CCC1=CC=C(C=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC3=C(C2)SC(=C3C(=O)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H30N2O4S2/c1-3-17-7-9-18(10-8-17)15-24-14-11-19-20(16-24)30-23(21(19)22(26)29-2)31(27,28)25-12-5-4-6-13-25/h7-10H,3-6,11-16H2,1-2H3