[(2R)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate

Systemtic Name: [(2R)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] pentanoate Openeye Name: [(1R)-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [(2R)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate Traditional Name: valeric acid [(1R)-2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CCCCC(=O)O[C@H](C)C(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H28N2O6S/c1-4-5-6-18(22)27-15(3)19(23)20-16-8-7-14(2)17(13-16)28(24,25)21-9-11-26-12-10-21/h7-8,13,15H,4-6,9-12H2,1-3H3,(H,20,23)/t15-/m1/s1