[(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-morpholinosulfonyl-benzoate CAS Name: 2-methyl-5-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methyl-5-morpholinosulfonyl-benzoic acid [(1R)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O6S/c1-14-3-8-18(31(27,28)24-9-11-29-12-10-24)13-19(14)21(26)30-15(2)20(25)23-17-6-4-16(22)5-7-17/h3-8,13,15H,9-12H2,1-2H3,(H,23,25)/t15-/m1/s1