3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(4-aminophenyl)-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(4-aminophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(4-aminophenyl)-2-(tosylamino)propionic acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C16H18N2O4S/c1-11-2-8-14(9-3-11)23(21,22)18-15(16(19)20)10-12-4-6-13(17)7-5-12/h2-9,15,18H,10,17H2,1H3,(H,19,20)