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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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