[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18BrClN2O5S MolecularWeight: 489.76792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18BrClN2O5S/c1-12(18(24)22-15-7-5-13(19)6-8-15)27-17(23)9-10-21-28(25,26)16-4-2-3-14(20)11-16/h2-8,11-12,21H,9-10H2,1H3,(H,22,24)