methyl 4-[[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(3-bromophenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(3-bromophenyl)sulfonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-(3-bromophenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(3-bromophenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(3-bromophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[[(1R)-2-amino-2-keto-1-phenyl-ethyl]-(3-bromophenyl)sulfonyl-amino]methyl]benzoic acid methyl ester Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN([C@H](C2=CC=CC=C2)C(=O)N)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C23H21BrN2O5S/c1-31-23(28)18-12-10-16(11-13-18)15-26(21(22(25)27)17-6-3-2-4-7-17)32(29,30)20-9-5-8-19(24)14-20/h2-14,21H,15H2,1H3,(H2,25,27)/t21-/m1/s1