[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylsulfonylamino)butanoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] (2S)-2-(benzenesulfonamido)-3-methyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-3-methylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-methyl-butyric acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCOCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O6S/c1-17(2)22(25-33(29,30)20-6-4-3-5-7-20)23(28)32-16-21(27)24-18-8-10-19(11-9-18)26-12-14-31-15-13-26/h3-11,17,22,25H,12-16H2,1-2H3,(H,24,27)/t22-/m0/s1