[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H28N2O6S/c1-3-20(18-7-5-4-6-8-18)23(27)31-16-22(26)24-19-10-9-17(2)21(15-19)32(28,29)25-11-13-30-14-12-25/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,24,26)/t20-/m1/s1