[(1Z)-1-[1-(4-methylphenyl)sulfonyl-4-(2-oxidanylideneethyl)pyrrolidin-3-ylidene]octyl] ethanoate

Systemtic Name: [(1Z)-1-[1-(4-methylphenyl)sulfonyl-4-(2-oxidanylideneethyl)pyrrolidin-3-ylidene]octyl] ethanoate Openeye Name: [(1Z)-1-[4-(2-oxoethyl)-1-(p-tolylsulfonyl)pyrrolidin-3-ylidene]octyl] acetate CAS Name: acetic acid [(1Z)-1-[1-(4-methylphenyl)sulfonyl-4-(2-oxoethyl)-3-pyrrolidinylidene]octyl] ester IUPAC Name: [(1Z)-1-[1-(4-methylphenyl)sulfonyl-4-(2-oxoethyl)pyrrolidin-3-ylidene]octyl] acetate Traditional Name: acetic acid [(1Z)-1-[4-(2-ketoethyl)-1-tosyl-pyrrolidin-3-ylidene]octyl] ester Formula: C23H33NO5S MolecularWeight: 435.57682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=C1CN(CC1CC=O)S(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C

Isomeric SMILES

CCCCCCC/C(=C\1/CN(CC1CC=O)S(=O)(=O)C2=CC=C(C=C2)C)/OC(=O)C

InChI

InChI=1S/C23H33NO5S/c1-4-5-6-7-8-9-23(29-19(3)26)22-17-24(16-20(22)14-15-25)30(27,28)21-12-10-18(2)11-13-21/h10-13,15,20H,4-9,14,16-17H2,1-3H3/b23-22+