[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-methylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-methylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-15-6-5-7-17(14-15)21(25)28-16(2)20(24)22-18-8-10-19(11-9-18)29(26,27)23-12-3-4-13-23/h5-11,14,16H,3-4,12-13H2,1-2H3,(H,22,24)/t16-/m1/s1