methyl (3S)-3-[[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-3-[[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (3S)-3-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]-3-phenyl-propanoate CAS Name: (3S)-3-[[[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-3-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]-3-phenylpropanoate Traditional Name: (3S)-3-[[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC(CC(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N[C@@H](CC(=O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C25H26N2O5S/c1-17-9-14-22(15-18(17)2)33(30,31)27-21-12-10-20(11-13-21)25(29)26-23(16-24(28)32-3)19-7-5-4-6-8-19/h4-15,23,27H,16H2,1-3H3,(H,26,29)/t23-/m0/s1