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

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethylbenzoate Openeye Name: [(1R)-1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [(2R)-1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [(1R)-2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-15-4-5-18(14-16(15)2)22(26)30-17(3)21(25)23-19-6-8-20(9-7-19)31(27,28)24-10-12-29-13-11-24/h4-9,14,17H,10-13H2,1-3H3,(H,23,25)/t17-/m1/s1