[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C)Cl

InChI

InChI=1S/C19H17ClN2O5S/c1-3-9-21-28(25,26)16-6-4-5-14(10-16)19(24)27-12-18(23)22-15-8-7-13(2)17(20)11-15/h1,4-8,10-11,21H,9,12H2,2H3,(H,22,23)