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

Systemtic Name: 2-[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[5-methoxy-1-(p-tolylsulfonyl)indol-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]ethyl ester IUPAC Name: 2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(5-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(=C3)OC)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)OC)CCOS(=O)(=O)C4=CC=C(C=C4)C

InChI

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