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

Systemtic Name: methyl 6-(3-phenylbutyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 6-(3-phenylbutyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-(3-phenylbutyl)-2-(1-pyrrolidinylsulfonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-phenylbutyl)-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-(3-phenylbutyl)-2-pyrrolidinosulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C23H30N2O4S2 MolecularWeight: 462.6253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(CCN1CCC2=C(C1)SC(=C2C(=O)OC)S(=O)(=O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N2O4S2/c1-17(18-8-4-3-5-9-18)10-14-24-15-11-19-20(16-24)30-23(21(19)22(26)29-2)31(27,28)25-12-6-7-13-25/h3-5,8-9,17H,6-7,10-16H2,1-2H3