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

Systemtic Name: 2-[2-[methyl-[2-(4-methylphenyl)sulfonylphenyl]amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[N-methyl-2-(p-tolylsulfonyl)anilino]acetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[N-methyl-2-(4-methylphenyl)sulfonylanilino]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[N-methyl-2-(4-methylphenyl)sulfonylanilino]acetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(N-methyl-2-tosyl-anilino)acetyl]amino]-3-phenyl-propionic acid Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N(C)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N(C)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H26N2O5S/c1-18-12-14-20(15-13-18)33(31,32)23-11-7-6-10-22(23)27(2)17-24(28)26-21(25(29)30)16-19-8-4-3-5-9-19/h3-15,21H,16-17H2,1-2H3,(H,26,28)(H,29,30)