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

Systemtic Name: methyl 6-(2-phenylpropyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(2-phenylpropyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-(2-phenylpropyl)-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-phenylpropyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(2-phenylpropyl)-2-pyrrolidinosulfonyl-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:

CC(CN1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(CN1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2O4S2/c1-16(17-8-4-3-5-9-17)14-23-13-10-18-19(15-23)29-22(20(18)21(25)28-2)30(26,27)24-11-6-7-12-24/h3-5,8-9,16H,6-7,10-15H2,1-2H3