methyl 8-[1-(phenylsulfonyl)-2,5-dihydropyrrol-3-yl]octanoate

Systemtic Name: methyl 8-[1-(phenylsulfonyl)-2,5-dihydropyrrol-3-yl]octanoate Openeye Name: methyl 8-[1-(benzenesulfonyl)-2,5-dihydropyrrol-3-yl]octanoate CAS Name: 8-[1-(benzenesulfonyl)-2,5-dihydropyrrol-3-yl]octanoic acid methyl ester IUPAC Name: methyl 8-[1-(benzenesulfonyl)-2,5-dihydropyrrol-3-yl]octanoate Traditional Name: 8-(1-besyl-3-pyrrolin-3-yl)caprylic acid methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC1=CCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCCC1=CCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H27NO4S/c1-24-19(21)13-9-4-2-3-6-10-17-14-15-20(16-17)25(22,23)18-11-7-5-8-12-18/h5,7-8,11-12,14H,2-4,6,9-10,13,15-16H2,1H3