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

Systemtic Name: 2-[methyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[methyl(p-tolylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[methyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[methyl(tosyl)amino]-3-phenyl-propionic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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