3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[2-(p-tolylsulfonylamino)benzoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[2-(tosylamino)benzoyl]amino]butyric acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C19H22N2O5S/c1-12(2)17(19(23)24)20-18(22)15-6-4-5-7-16(15)21-27(25,26)14-10-8-13(3)9-11-14/h4-12,17,21H,1-3H3,(H,20,22)(H,23,24)