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

Systemtic Name: 2-[6,7-dimethoxy-1-(4-methylphenyl)sulfonyl-2-nitro-indol-3-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[6,7-dimethoxy-2-nitro-1-(p-tolylsulfonyl)indol-3-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[6,7-dimethoxy-1-(4-methylphenyl)sulfonyl-2-nitro-3-indolyl]ethyl ester IUPAC Name: 2-[6,7-dimethoxy-1-(4-methylphenyl)sulfonyl-2-nitroindol-3-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6,7-dimethoxy-2-nitro-1-tosyl-indol-3-yl)ethyl ester Formula: C26H26N2O9S2 MolecularWeight: 574.62264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3OC)OC)C(=C2[N+](=O)[O-])CCOS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(=C3OC)OC)C(=C2[N+](=O)[O-])CCOS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H26N2O9S2/c1-17-5-9-19(10-6-17)38(31,32)27-24-21(13-14-23(35-3)25(24)36-4)22(26(27)28(29)30)15-16-37-39(33,34)20-11-7-18(2)8-12-20/h5-14H,15-16H2,1-4H3