ethyl 4-(2-methylpropyl)-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H29N3O5S2/c1-4-30-22(27)19-17(12-15(2)3)14-31-21(19)24-20(26)16-7-10-25(11-8-16)32(28,29)18-6-5-9-23-13-18/h5-6,9,13-16H,4,7-8,10-12H2,1-3H3,(H,24,26)