[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-3-24(4-2)30(27,28)19-12-5-16(6-13-19)7-14-21(26)29-15-20(25)23-18-10-8-17(22)9-11-18/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,25)