[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 3-(prop-2-ynylsulfamoyl)benzoate CAS Name: 3-(prop-2-ynylsulfamoyl)benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 3-(propargylsulfamoyl)benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H15BrN2O5S/c1-2-10-20-27(24,25)16-5-3-4-13(11-16)18(23)26-12-17(22)21-15-8-6-14(19)7-9-15/h1,3-9,11,20H,10,12H2,(H,21,22)