2-[(3-methylphenyl)carbamoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-methylphenyl)carbamoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 4-methylsulfonyl-2-(m-tolylcarbamoylamino)butanoic acid CAS Name: 2-[[(3-methylanilino)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-methylphenyl)carbamoylamino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-(m-tolylcarbamoylamino)butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-9-4-3-5-10(8-9)14-13(18)15-11(12(16)17)6-7-21(2,19)20/h3-5,8,11H,6-7H2,1-2H3,(H,16,17)(H2,14,15,18)