5-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-hexanoic acid

Systemtic Name: 5-methyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-hexanoic acid Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]-5-methyl-hexanoic acid CAS Name: 5-methyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]hexanoic acid IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonyl-5-methylhexanoic acid Traditional Name: 3-(4-benzylpiperidino)sulfonyl-5-methyl-hexanoic acid Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4S/c1-15(2)12-18(14-19(21)22)25(23,24)20-10-8-17(9-11-20)13-16-6-4-3-5-7-16/h3-7,15,17-18H,8-14H2,1-2H3,(H,21,22)