4-[(5-methoxycarbonyl-2-methyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-[(5-methoxycarbonyl-2-methyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 4-[(5-methoxycarbonyl-2-methyl-phenyl)sulfonylamino]butanoic acid CAS Name: 4-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(5-methoxycarbonyl-2-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(5-carbomethoxy-2-methyl-phenyl)sulfonylamino]butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C13H17NO6S/c1-9-5-6-10(13(17)20-2)8-11(9)21(18,19)14-7-3-4-12(15)16/h5-6,8,14H,3-4,7H2,1-2H3,(H,15,16)