8-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]octanoic acid

Systemtic Name: 8-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]octanoic acid Openeye Name: 8-(1-benzylsulfonylpyrrolidin-2-yl)octanoic acid CAS Name: 8-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]octanoic acid IUPAC Name: 8-(1-benzylsulfonylpyrrolidin-2-yl)octanoic acid Traditional Name: 8-(1-benzylsulfonylpyrrolidin-2-yl)caprylic acid Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)CCCCCCCC(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)CCCCCCCC(=O)O

InChI

InChI=1S/C19H29NO4S/c21-19(22)14-8-3-1-2-7-12-18-13-9-15-20(18)25(23,24)16-17-10-5-4-6-11-17/h4-6,10-11,18H,1-3,7-9,12-16H2,(H,21,22)