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

Systemtic Name: 3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]propanoic acid Openeye Name: 3-[4-methyl-N-(p-tolylsulfonyl)anilino]propanoic acid CAS Name: 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid IUPAC Name: 3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid Traditional Name: 3-(4-methyl-N-tosyl-anilino)propionic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4S/c1-13-3-7-15(8-4-13)18(12-11-17(19)20)23(21,22)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H,19,20)