4-[methyl-[(4-methylsulfonylphenyl)carbamoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[(4-methylsulfonylphenyl)carbamoyl]amino]butanoic acid Openeye Name: 4-[methyl-[(4-methylsulfonylphenyl)carbamoyl]amino]butanoic acid CAS Name: 4-[methyl-[(4-methylsulfonylanilino)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-[(4-methylsulfonylphenyl)carbamoyl]amino]butanoic acid Traditional Name: 4-[(4-mesylphenyl)carbamoyl-methyl-amino]butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C13H18N2O5S/c1-15(9-3-4-12(16)17)13(18)14-10-5-7-11(8-6-10)21(2,19)20/h5-8H,3-4,9H2,1-2H3,(H,14,18)(H,16,17)