[(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylbenzoate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methylbenzoate Openeye Name: [(1R)-1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2R)-1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24N2O6S/c1-15-4-3-5-17(14-15)21(25)29-16(2)20(24)22-18-6-8-19(9-7-18)30(26,27)23-10-12-28-13-11-23/h3-9,14,16H,10-13H2,1-2H3,(H,22,24)/t16-/m1/s1