methyl 8-[1-(phenylsulfonyl)pyrrol-3-yl]octanoate

Systemtic Name: methyl 8-[1-(phenylsulfonyl)pyrrol-3-yl]octanoate Openeye Name: methyl 8-[1-(benzenesulfonyl)pyrrol-3-yl]octanoate CAS Name: 8-[1-(benzenesulfonyl)-3-pyrrolyl]octanoic acid methyl ester IUPAC Name: methyl 8-[1-(benzenesulfonyl)pyrrol-3-yl]octanoate Traditional Name: 8-(1-besylpyrrol-3-yl)caprylic acid methyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCCCC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO4S/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/h5,7-8,11-12,14-16H,2-4,6,9-10,13H2,1H3