[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)benzoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 3-(tosylamino)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OC(C)C(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C20H22N2O5S/c1-13-6-10-18(11-7-13)28(25,26)22-17-5-3-4-15(12-17)20(24)27-14(2)19(23)21-16-8-9-16/h3-7,10-12,14,16,22H,8-9H2,1-2H3,(H,21,23)/t14-/m1/s1