tert-butyl 4-[(E)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylvinyl]piperidine-1-carboxylate CAS Name: 4-[(E)-2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]ethenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethenyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-2-[4-(4-fluorophenyl)piperazino]sulfonylvinyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H32FN3O4S MolecularWeight: 453.570583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C=CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)/C=C/S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H32FN3O4S/c1-22(2,3)30-21(27)25-11-8-18(9-12-25)10-17-31(28,29)26-15-13-24(14-16-26)20-6-4-19(23)5-7-20/h4-7,10,17-18H,8-9,11-16H2,1-3H3/b17-10+