[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylamino)benzoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H17BrN2O5S/c1-11-8-13(18)6-7-15(11)19-16(21)10-25-17(22)12-4-3-5-14(9-12)20-26(2,23)24/h3-9,20H,10H2,1-2H3,(H,19,21)