2-[2,3-dihydro-1H-indol-2-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2,3-dihydro-1H-indol-2-ylcarbonyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[indoline-2-carbonyl(p-tolylsulfonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[2,3-dihydro-1H-indol-2-yl(oxo)methyl]-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 2-[2,3-dihydro-1H-indole-2-carbonyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid Traditional Name: 2-[indoline-2-carbonyl(tosyl)amino]-3-phenyl-propionic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3CC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CC2=CC=CC=C2)C(=O)O)C(=O)C3CC4=CC=CC=C4N3

InChI

InChI=1S/C25H24N2O5S/c1-17-11-13-20(14-12-17)33(31,32)27(23(25(29)30)15-18-7-3-2-4-8-18)24(28)22-16-19-9-5-6-10-21(19)26-22/h2-14,22-23,26H,15-16H2,1H3,(H,29,30)