methyl 2-[1-(4-methylphenyl)sulfonyl-5-phenylsulfanyl-indol-4-yl]ethanoate

Systemtic Name: methyl 2-[1-(4-methylphenyl)sulfonyl-5-phenylsulfanyl-indol-4-yl]ethanoate Openeye Name: methyl 2-[5-phenylsulfanyl-1-(p-tolylsulfonyl)indol-4-yl]acetate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-5-(phenylthio)-4-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(4-methylphenyl)sulfonyl-5-phenylsulfanylindol-4-yl]acetate Traditional Name: 2-[5-(phenylthio)-1-tosyl-indol-4-yl]acetic acid methyl ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CC(=O)OC)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC(=C3CC(=O)OC)SC4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S2/c1-17-8-10-19(11-9-17)31(27,28)25-15-14-20-21(16-24(26)29-2)23(13-12-22(20)25)30-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3