4-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoic acid Openeye Name: 4-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoic acid CAS Name: 4-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoic acid Traditional Name: 4-[2-(N-mesyl-4-methyl-anilino)butanoylamino]benzoic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N(C2=CC=C(C=C2)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N(C2=CC=C(C=C2)C)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O5S/c1-4-17(18(22)20-15-9-7-14(8-10-15)19(23)24)21(27(3,25)26)16-11-5-13(2)6-12-16/h5-12,17H,4H2,1-3H3,(H,20,22)(H,23,24)