[2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(1-methyl-2-phenyl-indol-3-yl)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-(1-methyl-2-phenyl-3-indolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(1-methyl-2-phenyl-indol-3-yl)ethyl] ester Formula: C27H25NO5S MolecularWeight: 475.5561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C2=C(N(C3=CC=CC=C32)C)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO5S/c1-19-12-14-21(15-13-19)34(31,32)17-16-25(30)33-18-24(29)26-22-10-6-7-11-23(22)28(2)27(26)20-8-4-3-5-9-20/h3-15H,16-18H2,1-2H3