[2-(dipropylamino)-1-(4-methylphenyl)sulfonyloxy-2,3-dihydroinden-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(dipropylamino)-1-(4-methylphenyl)sulfonyloxy-2,3-dihydroinden-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-(dipropylamino)-1-(p-tolylsulfonyloxy)indan-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(dipropylamino)-1-(4-methylphenyl)sulfonyloxy-2,3-dihydroinden-1-yl] ester IUPAC Name: [2-(dipropylamino)-1-(4-methylphenyl)sulfonyloxy-2,3-dihydroinden-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(dipropylamino)-1-tosyloxy-indan-1-yl] ester Formula: C29H35NO6S2 MolecularWeight: 557.7213

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CC2=CC=CC=C2C1(OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN(CCC)C1CC2=CC=CC=C2C1(OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H35NO6S2/c1-5-19-30(20-6-2)28-21-24-9-7-8-10-27(24)29(28,35-37(31,32)25-15-11-22(3)12-16-25)36-38(33,34)26-17-13-23(4)14-18-26/h7-18,28H,5-6,19-21H2,1-4H3