3-[4-(phenylmethyl)piperidin-1-yl]sulfonyloctanoic acid

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]sulfonyloctanoic acid Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]octanoic acid CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]octanoic acid IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonyloctanoic acid Traditional Name: 3-(4-benzylpiperidino)sulfonylcaprylic acid Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)S(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCC(CC(=O)O)S(=O)(=O)N1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31NO4S/c1-2-3-5-10-19(16-20(22)23)26(24,25)21-13-11-18(12-14-21)15-17-8-6-4-7-9-17/h4,6-9,18-19H,2-3,5,10-16H2,1H3,(H,22,23)