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

Systemtic Name: 3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid IUPAC Name: 3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid Traditional Name: 3-(4-methoxy-N-tosyl-anilino)propionic acid Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S/c1-13-3-9-16(10-4-13)24(21,22)18(12-11-17(19)20)14-5-7-15(23-2)8-6-14/h3-10H,11-12H2,1-2H3,(H,19,20)