4-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoic acid

Systemtic Name: 4-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]benzoic acid Openeye Name: 4-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]benzoic acid CAS Name: 4-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoylamino]benzoic acid Traditional Name: 4-[2-(N-mesyl-2,5-dimethyl-anilino)propanoylamino]benzoic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(C(C)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-12-5-6-13(2)17(11-12)21(27(4,25)26)14(3)18(22)20-16-9-7-15(8-10-16)19(23)24/h5-11,14H,1-4H3,(H,20,22)(H,23,24)