ethyl 4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxo-3-phenylpropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[(2S)-3-phenyl-2-(tosylamino)propanoyl]amino]benzoic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

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