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

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O7S MolecularWeight: 489.54138

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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)NC(=O)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O7S/c1-15-4-5-18(14-21(15)34(30,31)26-10-12-32-13-11-26)23(29)33-16(2)22(28)25-20-8-6-19(7-9-20)24-17(3)27/h4-9,14,16H,10-13H2,1-3H3,(H,24,27)(H,25,28)/t16-/m1/s1