methyl 4-piperidin-4-yl-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 4-piperidin-4-yl-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 4-(4-piperidyl)-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 4-(4-piperidinyl)-5-sulfinyl-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 4-piperidin-4-yl-5-sulfinylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 4-(4-piperidyl)-5-sulfinyl-cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C(=S=O)C1)C2CCNCC2

Isomeric SMILES

COC(=O)C1=CC=C(C(=S=O)C1)C2CCNCC2

InChI

InChI=1S/C13H17NO3S/c1-17-13(15)10-2-3-11(12(8-10)18-16)9-4-6-14-7-5-9/h2-3,9,14H,4-8H2,1H3