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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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