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

Systemtic Name: methyl 4-[[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-(3-methylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenyl-ethyl]-(m-tolylsulfonyl)amino]methyl]benzoate CAS Name: 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(3-methylphenyl)sulfonylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(1R)-2-amino-2-oxo-1-phenylethyl]-(3-methylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[[(1R)-2-amino-2-keto-1-phenyl-ethyl]-(m-tolylsulfonyl)amino]methyl]benzoic acid methyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)OC)[C@H](C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C24H24N2O5S/c1-17-7-6-10-21(15-17)32(29,30)26(22(23(25)27)19-8-4-3-5-9-19)16-18-11-13-20(14-12-18)24(28)31-2/h3-15,22H,16H2,1-2H3,(H2,25,27)/t22-/m1/s1