[2-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[4-ethoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[4-ethoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(4-ethoxy-3-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CN(N=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H26N4O6S/c1-3-29-17-8-7-16(11-18(17)31(27,28)24-9-5-4-6-10-24)22-19(25)14-30-20(26)15-12-21-23(2)13-15/h7-8,11-13H,3-6,9-10,14H2,1-2H3,(H,22,25)