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

Systemtic Name: [(2R)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1R)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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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)N3CCCCC3

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)N3CCCCC3

InChI

InChI=1S/C24H29N3O6S/c1-16-7-8-19(15-22(16)34(31,32)27-13-5-4-6-14-27)24(30)33-17(2)23(29)26-21-11-9-20(10-12-21)25-18(3)28/h7-12,15,17H,4-6,13-14H2,1-3H3,(H,25,28)(H,26,29)/t17-/m1/s1