[2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-3-phenyl-4-(phenylsulfonylamino)butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] (3S)-3-phenyl-4-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] (3S)-4-(benzenesulfonamido)-3-phenyl-butanoate CAS Name: (3S)-4-(benzenesulfonamido)-3-phenylbutanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] (3S)-4-(benzenesulfonamido)-3-phenylbutanoate Traditional Name: (3S)-4-(benzenesulfonamido)-3-phenyl-butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C24H22BrNO5S MolecularWeight: 516.40418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)C2=CC=C(C=C2)Br)CNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)OCC(=O)C2=CC=C(C=C2)Br)CNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H22BrNO5S/c25-21-13-11-19(12-14-21)23(27)17-31-24(28)15-20(18-7-3-1-4-8-18)16-26-32(29,30)22-9-5-2-6-10-22/h1-14,20,26H,15-17H2/t20-/m1/s1