9-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]nonanoic acid

Systemtic Name: 9-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]nonanoic acid Openeye Name: 9-(1-benzylsulfonylpyrrolidin-2-yl)nonanoic acid CAS Name: 9-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]nonanoic acid IUPAC Name: 9-(1-benzylsulfonylpyrrolidin-2-yl)nonanoic acid Traditional Name: 9-(1-benzylsulfonylpyrrolidin-2-yl)pelargonic acid Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4S/c22-20(23)15-9-4-2-1-3-8-13-19-14-10-16-21(19)26(24,25)17-18-11-6-5-7-12-18/h5-7,11-12,19H,1-4,8-10,13-17H2,(H,22,23)