4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-bromophenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-bromophenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(4-bromophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-bromophenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-bromophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-brosyl-amino]methyl]benzoic acid Formula: C22H19BrN2O5S MolecularWeight: 503.36566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)N)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H19BrN2O5S/c23-18-10-12-19(13-11-18)31(29,30)25(14-15-6-8-17(9-7-15)22(27)28)20(21(24)26)16-4-2-1-3-5-16/h1-13,20H,14H2,(H2,24,26)(H,27,28)