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

Systemtic Name: 2-[4-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-methoxy-1-(p-tolylsulfonyl)indol-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]ethyl ester IUPAC Name: 2-[4-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-methoxy-1-tosyl-indol-3-yl)ethyl ester Formula: C25H25NO6S2 MolecularWeight: 499.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3OC)CCOS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3OC)CCOS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H25NO6S2/c1-18-7-11-21(12-8-18)33(27,28)26-17-20(25-23(26)5-4-6-24(25)31-3)15-16-32-34(29,30)22-13-9-19(2)10-14-22/h4-14,17H,15-16H2,1-3H3