2-[5-chloranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[5-chloranyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[5-chloro-1-(p-tolylsulfonyl)indol-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-chloro-1-(4-methylphenyl)sulfonyl-3-indolyl]ethyl ester IUPAC Name: 2-[5-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-chloro-1-tosyl-indol-3-yl)ethyl ester Formula: C24H22ClNO5S2 MolecularWeight: 504.01818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)CCOS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)CCOS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H22ClNO5S2/c1-17-3-8-21(9-4-17)32(27,28)26-16-19(23-15-20(25)7-12-24(23)26)13-14-31-33(29,30)22-10-5-18(2)6-11-22/h3-12,15-16H,13-14H2,1-2H3