[1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H23ClN4O5S MolecularWeight: 454.92772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CN(N=C3)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C19H23ClN4O5S/c1-13(29-19(26)14-11-21-23(2)12-14)18(25)22-17-10-15(6-7-16(17)20)30(27,28)24-8-4-3-5-9-24/h6-7,10-13H,3-5,8-9H2,1-2H3,(H,22,25)