4-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclohexanecarboxamide CAS Name: 4-butyl-N-[2-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]ethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylethyl]cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-[2-[4-(4-fluorophenyl)piperazino]sulfonylethyl]cyclohexanecarboxamide Formula: C23H36FN3O3S MolecularWeight: 453.613643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H36FN3O3S/c1-2-3-4-19-5-7-20(8-6-19)23(28)25-13-18-31(29,30)27-16-14-26(15-17-27)22-11-9-21(24)10-12-22/h9-12,19-20H,2-8,13-18H2,1H3,(H,25,28)