1-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]octadecan-4-yl methanesulfonate

Systemtic Name: 1-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]octadecan-4-yl methanesulfonate Openeye Name: 1-[3-[3-methylene-1-(p-tolylsulfonyl)indolin-2-yl]propyl]pentadecyl methanesulfonate CAS Name: methanesulfonic acid 1-[3-methylene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]octadecan-4-yl ester IUPAC Name: 1-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]octadecan-4-yl methanesulfonate Traditional Name: methanesulfonic acid 1-[3-(3-methylene-1-tosyl-indolin-2-yl)propyl]pentadecyl ester Formula: C35H53NO5S2 MolecularWeight: 631.92902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCC1C(=C)C2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCC1C(=C)C2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C

InChI

InChI=1S/C35H53NO5S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-31(41-42(4,37)38)21-19-24-34-30(3)33-22-17-18-23-35(33)36(34)43(39,40)32-27-25-29(2)26-28-32/h17-18,22-23,25-28,31,34H,3,5-16,19-21,24H2,1-2,4H3