4-[(3-aminocarbonyl-4-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(3-aminocarbonyl-4-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid Openeye Name: 4-[(3-carbamoyl-4-methyl-phenyl)sulfonyl-methyl-amino]butanoic acid CAS Name: 4-[(3-carbamoyl-4-methylphenyl)sulfonyl-methylamino]butanoic acid IUPAC Name: 4-[(3-carbamoyl-4-methylphenyl)sulfonyl-methylamino]butanoic acid Traditional Name: 4-[(3-carbamoyl-4-methyl-phenyl)sulfonyl-methyl-amino]butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCCC(=O)O)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCCC(=O)O)C(=O)N

InChI

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