methyl (E)-8-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]oct-2-enoate

Systemtic Name: methyl (E)-8-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]oct-2-enoate Openeye Name: methyl (E)-8-[1-(p-tolylsulfonyl)pyrrol-2-yl]oct-2-enoate CAS Name: (E)-8-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]oct-2-enoate Traditional Name: (E)-8-(1-tosylpyrrol-2-yl)oct-2-enoic acid methyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CCCCCC=CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CCCCC/C=C/C(=O)OC

InChI

InChI=1S/C20H25NO4S/c1-17-12-14-19(15-13-17)26(23,24)21-16-8-10-18(21)9-6-4-3-5-7-11-20(22)25-2/h7-8,10-16H,3-6,9H2,1-2H3/b11-7+