ethyl 2-[[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[(3R)-1-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-3-piperidinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylnipecotoyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H28N4O6S2 MolecularWeight: 496.60022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2CCCN(C2)S(=O)(=O)C3=C(N(N=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=C(N(N=C3)C)C

InChI

InChI=1S/C21H28N4O6S2/c1-6-31-21(28)17-12(2)18(14(4)26)32-20(17)23-19(27)15-8-7-9-25(11-15)33(29,30)16-10-22-24(5)13(16)3/h10,15H,6-9,11H2,1-5H3,(H,23,27)/t15-/m1/s1