3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoranyl-N-(4-phenoxyphenyl)benzamide

Systemtic Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoranyl-N-(4-phenoxyphenyl)benzamide Openeye Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide CAS Name: 3-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]-4-fluoro-N-(4-phenoxyphenyl)benzamide IUPAC Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide Traditional Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide Formula: C29H33FN3O4S+ MolecularWeight: 538.653423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)F

InChI

InChI=1S/C29H32FN3O4S/c30-27-16-11-22(29(34)31-23-12-14-26(15-13-23)37-25-9-5-2-6-10-25)21-28(27)38(35,36)33-19-17-32(18-20-33)24-7-3-1-4-8-24/h2,5-6,9-16,21,24H,1,3-4,7-8,17-20H2,(H,31,34)/p+1