2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfonyloctanoic acid

Systemtic Name: 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfonyloctanoic acid Openeye Name: 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfonyloctanoic acid CAS Name: 2-[4-[(1-methyl-3-pyrrolidinyl)oxy]phenyl]sulfonyloctanoic acid IUPAC Name: 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfonyloctanoic acid Traditional Name: 2-[4-(1-methylpyrrolidin-3-yl)oxyphenyl]sulfonylcaprylic acid Formula: C19H29NO5S MolecularWeight: 383.50226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC2CCN(C2)C

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC2CCN(C2)C

InChI

InChI=1S/C19H29NO5S/c1-3-4-5-6-7-18(19(21)22)26(23,24)17-10-8-15(9-11-17)25-16-12-13-20(2)14-16/h8-11,16,18H,3-7,12-14H2,1-2H3,(H,21,22)