[(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate Openeye Name: [(1R)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(1R)-2-keto-2-[4-(methanesulfonamido)phenyl]-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)O[C@H](C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-4-5-14-22-19-9-7-6-8-18(19)21(25)28-15(2)20(24)16-10-12-17(13-11-16)23-29(3,26)27/h6-13,15,22-23H,4-5,14H2,1-3H3/t15-/m1/s1