2-[6,7-dimethoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[6,7-dimethoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[6,7-dimethoxy-1-(p-tolylsulfonyl)indol-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[6,7-dimethoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]ethyl ester IUPAC Name: 2-[6,7-dimethoxy-1-(4-methylphenyl)sulfonylindol-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6,7-dimethoxy-1-tosyl-indol-3-yl)ethyl ester Formula: C26H27NO7S2 MolecularWeight: 529.62508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO7S2/c1-18-5-9-21(10-6-18)35(28,29)27-17-20(23-13-14-24(32-3)26(33-4)25(23)27)15-16-34-36(30,31)22-11-7-19(2)8-12-22/h5-14,17H,15-16H2,1-4H3