[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(quinolin-5-ylamino)ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(5-quinolylamino)ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(5-quinolinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(quinolin-5-ylamino)ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-keto-2-(5-quinolylamino)ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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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=CC=CC3=C2C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC2=CC=CC3=C2C=CC=N3

InChI

InChI=1S/C21H21N3O5S/c1-14-8-10-16(11-9-14)30(27,28)24-15(2)21(26)29-13-20(25)23-19-7-3-6-18-17(19)5-4-12-22-18/h3-12,15,24H,13H2,1-2H3,(H,23,25)/t15-/m0/s1