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

Systemtic Name: 2-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]ethyl ester IUPAC Name: 2-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-bromo-1-tosyl-indol-3-yl)ethyl ester Formula: C24H22BrNO5S2 MolecularWeight: 548.46918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CCOS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CCOS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H22BrNO5S2/c1-17-6-10-20(11-7-17)32(27,28)26-16-19(24-22(25)4-3-5-23(24)26)14-15-31-33(29,30)21-12-8-18(2)9-13-21/h3-13,16H,14-15H2,1-2H3