2-[1-(4-methylphenyl)sulfonyl-5-(2-phenylethynyl)indol-4-yl]ethyl ethanoate

Systemtic Name: 2-[1-(4-methylphenyl)sulfonyl-5-(2-phenylethynyl)indol-4-yl]ethyl ethanoate Openeye Name: 2-[5-(2-phenylethynyl)-1-(p-tolylsulfonyl)indol-4-yl]ethyl acetate CAS Name: acetic acid 2-[1-(4-methylphenyl)sulfonyl-5-(2-phenylethynyl)-4-indolyl]ethyl ester IUPAC Name: 2-[1-(4-methylphenyl)sulfonyl-5-(2-phenylethynyl)indol-4-yl]ethyl acetate Traditional Name: acetic acid 2-[5-(2-phenylethynyl)-1-tosyl-indol-4-yl]ethyl ester Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CCOC(=O)C)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CCOC(=O)C)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H23NO4S/c1-20-8-13-24(14-9-20)33(30,31)28-18-16-26-25(17-19-32-21(2)29)23(12-15-27(26)28)11-10-22-6-4-3-5-7-22/h3-9,12-16,18H,17,19H2,1-2H3