methyl 6-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]hexanoate

Systemtic Name: methyl 6-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]hexanoate Openeye Name: methyl 6-[1-(p-tolylsulfonyl)pyrrol-2-yl]hexanoate CAS Name: 6-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]hexanoate Traditional Name: 6-(1-tosylpyrrol-2-yl)hexanoic acid methyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4S/c1-15-10-12-17(13-11-15)24(21,22)19-14-6-8-16(19)7-4-3-5-9-18(20)23-2/h6,8,10-14H,3-5,7,9H2,1-2H3