[4-(4-fluorophenyl)carbonylpiperidin-1-yl] 4-methylcyclohexa-2,4-diene-1-sulfonate

Systemtic Name: [4-(4-fluorophenyl)carbonylpiperidin-1-yl] 4-methylcyclohexa-2,4-diene-1-sulfonate Openeye Name: [4-(4-fluorobenzoyl)-1-piperidyl] 4-methylcyclohexa-2,4-diene-1-sulfonate CAS Name: 4-methyl-1-cyclohexa-2,4-dienesulfonic acid [4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl] ester IUPAC Name: [4-(4-fluorobenzoyl)piperidin-1-yl] 4-methylcyclohexa-2,4-diene-1-sulfonate Traditional Name: 4-methylcyclohexa-2,4-diene-1-sulfonic acid [4-(4-fluorobenzoyl)piperidino] ester Formula: C19H22FNO4S MolecularWeight: 379.445683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C=C1)S(=O)(=O)ON2CCC(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CCC(C=C1)S(=O)(=O)ON2CCC(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FNO4S/c1-14-2-8-18(9-3-14)26(23,24)25-21-12-10-16(11-13-21)19(22)15-4-6-17(20)7-5-15/h2-8,16,18H,9-13H2,1H3