3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 3-[(3-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]butanoic acid Openeye Name: 3-[3-methoxy-N-(p-tolylsulfonyl)anilino]butanoic acid CAS Name: 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid IUPAC Name: 3-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)butanoic acid Traditional Name: 3-(3-methoxy-N-tosyl-anilino)butyric acid Formula: C18H21NO5S MolecularWeight: 363.42804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)OC)C(C)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC(=CC=C2)OC)C(C)CC(=O)O

InChI

InChI=1S/C18H21NO5S/c1-13-7-9-17(10-8-13)25(22,23)19(14(2)11-18(20)21)15-5-4-6-16(12-15)24-3/h4-10,12,14H,11H2,1-3H3,(H,20,21)