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

Systemtic Name: 2-[2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-phenyl-2-[[2-[N-(p-tolylsulfonyl)anilino]acetyl]amino]propanoic acid CAS Name: 2-[[2-(N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-[[2-(N-tosylanilino)acetyl]amino]propionic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5S/c1-18-12-14-21(15-13-18)32(30,31)26(20-10-6-3-7-11-20)17-23(27)25-22(24(28)29)16-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,27)(H,28,29)