2-[(1-methylpiperidin-4-yl)sulfonylmethyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-methylpiperidin-4-yl)sulfonylmethyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[(1-methyl-4-piperidyl)sulfonyl]propanoic acid CAS Name: 2-[(1-methyl-4-piperidinyl)sulfonylmethyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(1-methylpiperidin-4-yl)sulfonylpropanoic acid Traditional Name: 2-benzyl-3-[(1-methyl-4-piperidyl)sulfonyl]propionic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1CCC(CC1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H23NO4S/c1-17-9-7-15(8-10-17)22(20,21)12-14(16(18)19)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,18,19)