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

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(4-bromanyl-2-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(4-bromo-2-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-bromo-2-methylphenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(4-bromo-2-methylphenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(4-bromo-2-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H21BrN2O5S/c1-15-13-19(24)11-12-20(15)32(30,31)26(14-16-7-9-18(10-8-16)23(28)29)21(22(25)27)17-5-3-2-4-6-17/h2-13,21H,14H2,1H3,(H2,25,27)(H,28,29)