methyl 4-[2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CN1)C2=CSC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H21N5O5S2/c1-30-19(27)16-9-14(10-22-16)17-12-31-20(23-17)24-18(26)13-4-7-25(8-5-13)32(28,29)15-3-2-6-21-11-15/h2-3,6,9-13,22H,4-5,7-8H2,1H3,(H,23,24,26)