4-(1-phenylmethoxycarbonylpiperidin-4-yl)-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 4-(1-phenylmethoxycarbonylpiperidin-4-yl)-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-(1-benzyloxycarbonyl-4-piperidyl)-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-(1-phenylmethoxycarbonyl-4-piperidinyl)-5-sulfinyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-(1-phenylmethoxycarbonylpiperidin-4-yl)-5-sulfinylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-(1-carbobenzoxy-4-piperidyl)-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(CC2=S=O)C(=O)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C2=CC=C(CC2=S=O)C(=O)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S/c22-19(23)16-6-7-17(18(12-16)27-25)15-8-10-21(11-9-15)20(24)26-13-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,22,23)