[7-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [7-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [7-(p-tolylsulfonyl)-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl]methyl ester IUPAC Name: [7-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-pyrano[2,3-e]indol-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-tosyl-3,4-dihydro-2H-pyran[2,3-e]indol-2-yl)methyl ester Formula: C26H25NO6S2 MolecularWeight: 511.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC4=C3OC(CC4)COS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC4=C3OC(CC4)COS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C26H25NO6S2/c1-18-3-10-22(11-4-18)34(28,29)27-16-15-24-25(27)14-8-20-7-9-21(33-26(20)24)17-32-35(30,31)23-12-5-19(2)6-13-23/h3-6,8,10-16,21H,7,9,17H2,1-2H3