methyl 3-[2-[3-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(1-methylsulfonylindoline-5-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(1-mesylindoline-5-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)N(CC4)S(=O)(=O)C

InChI

InChI=1S/C26H22N2O5S/c1-33-26(30)22-7-3-5-18(15-22)9-10-19-6-4-8-23(16-19)27-25(29)21-11-12-24-20(17-21)13-14-28(24)34(2,31)32/h3-8,11-12,15-17H,13-14H2,1-2H3,(H,27,29)