[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 2-phenyltriazole-4-carboxylate CAS Name: 2-phenyl-4-triazolecarboxylic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-phenyltriazole-4-carboxylate Traditional Name: 2-phenyltriazole-4-carboxylic acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O6S/c1-16(33-22(29)20-15-23-27(25-20)18-7-3-2-4-8-18)21(28)24-17-6-5-9-19(14-17)34(30,31)26-10-12-32-13-11-26/h2-9,14-16H,10-13H2,1H3,(H,24,28)