2-[1-(4-methylphenyl)sulfonyl-5-[(E)-prop-1-enyl]indol-4-yl]oxybut-3-enyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(4-methylphenyl)sulfonyl-5-[(E)-prop-1-enyl]indol-4-yl]oxybut-3-enyl 4-methylbenzenesulfonate Openeye Name: 2-[5-[(E)-prop-1-enyl]-1-(p-tolylsulfonyl)indol-4-yl]oxybut-3-enyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[1-(4-methylphenyl)sulfonyl-5-[(E)-prop-1-enyl]-4-indolyl]oxy]but-3-enyl ester IUPAC Name: 2-[1-(4-methylphenyl)sulfonyl-5-[(E)-prop-1-enyl]indol-4-yl]oxybut-3-enyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[5-[(E)-prop-1-enyl]-1-tosyl-indol-4-yl]oxybut-3-enyl ester Formula: C29H29NO6S2 MolecularWeight: 551.67366

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=C(C=C3)C)OC(COS(=O)(=O)C4=CC=C(C=C4)C)C=C

Isomeric SMILES

C/C=C/C1=C(C2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=C(C=C3)C)OC(COS(=O)(=O)C4=CC=C(C=C4)C)C=C

InChI

InChI=1S/C29H29NO6S2/c1-5-7-23-12-17-28-27(18-19-30(28)37(31,32)25-13-8-21(3)9-14-25)29(23)36-24(6-2)20-35-38(33,34)26-15-10-22(4)11-16-26/h5-19,24H,2,20H2,1,3-4H3/b7-5+