(2R)-4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2R)-4-[[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]amino]-2-methyl-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2R)-4-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-methyl-4-oxo-2-phenyl-butanoate CAS Name: (2R)-4-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-methyl-4-oxo-2-phenylbutanoate IUPAC Name: (2R)-4-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)anilino]-2-methyl-4-oxo-2-phenylbutanoate Traditional Name: (2R)-4-keto-2-methyl-2-phenyl-4-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)anilino]butyrate Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2)(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C[C@@](CC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCC2)(C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c1-21(20(26)27,15-7-3-2-4-8-15)14-19(25)23-16-9-5-10-17(13-16)30(28,29)24-18-11-6-12-22-18/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t21-/m1/s1