[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O7S/c1-17(2)22(26-23(29)18-6-4-3-5-7-18)24(30)34-16-21(28)25-19-8-10-20(11-9-19)35(31,32)27-12-14-33-15-13-27/h3-11,17,22H,12-16H2,1-2H3,(H,25,28)(H,26,29)/t22-/m0/s1