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

Systemtic Name: methyl 4-[[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(4-chloranyl-3-nitro-phenyl)sulfonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-(4-chloro-3-nitro-phenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(4-chloro-3-nitrophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[[(1R)-2-amino-2-keto-1-phenyl-ethyl]-(4-chloro-3-nitro-phenyl)sulfonyl-amino]methyl]benzoic acid methyl ester Formula: C23H20ClN3O7S MolecularWeight: 517.9388

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O7S/c1-34-23(29)17-9-7-15(8-10-17)14-26(21(22(25)28)16-5-3-2-4-6-16)35(32,33)18-11-12-19(24)20(13-18)27(30)31/h2-13,21H,14H2,1H3,(H2,25,28)/t21-/m1/s1