methyl 3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H23N3O5S2/c1-27-18(23)12-16(17-5-3-11-28-17)21-19(24)14-6-9-22(10-7-14)29(25,26)15-4-2-8-20-13-15/h2-5,8,11,13-14,16H,6-7,9-10,12H2,1H3,(H,21,24)