[1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C25H27ClN4O6S MolecularWeight: 547.02308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O6S/c1-17-22(23(26)30(28-17)16-19-6-4-3-5-7-19)25(32)36-18(2)24(31)27-20-8-10-21(11-9-20)37(33,34)29-12-14-35-15-13-29/h3-11,18H,12-16H2,1-2H3,(H,27,31)