[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-13-5-8-17(9-6-13)32(28,29)24-14(2)21(27)31-12-20(26)23-18-11-16(22-15(3)25)7-10-19(18)30-4/h5-11,14,24H,12H2,1-4H3,(H,22,25)(H,23,26)/t14-/m0/s1