3-methylsulfinyl-4-(1-phenylmethoxycarbonylpiperidin-4-yl)benzoic acid

Systemtic Name: 3-methylsulfinyl-4-(1-phenylmethoxycarbonylpiperidin-4-yl)benzoic acid Openeye Name: 4-(1-benzyloxycarbonyl-4-piperidyl)-3-methylsulfinyl-benzoic acid CAS Name: 3-methylsulfinyl-4-(1-phenylmethoxycarbonyl-4-piperidinyl)benzoic acid IUPAC Name: 3-methylsulfinyl-4-(1-phenylmethoxycarbonylpiperidin-4-yl)benzoic acid Traditional Name: 4-(1-carbobenzoxy-4-piperidyl)-3-methylsulfinyl-benzoic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(=O)O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(=O)O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-28(26)19-13-17(20(23)24)7-8-18(19)16-9-11-22(12-10-16)21(25)27-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,23,24)