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

Systemtic Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-N-(4-ethoxyphenyl)-4-fluoranyl-benzamide Openeye Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-N-(4-ethoxyphenyl)-4-fluoro-benzamide CAS Name: 3-[(4-cyclohexyl-1-piperazin-4-iumyl)sulfonyl]-N-(4-ethoxyphenyl)-4-fluorobenzamide IUPAC Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-N-(4-ethoxyphenyl)-4-fluorobenzamide Traditional Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)sulfonyl-4-fluoro-N-p-phenetyl-benzamide Formula: C25H33FN3O4S+ MolecularWeight: 490.610623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C25H32FN3O4S/c1-2-33-22-11-9-20(10-12-22)27-25(30)19-8-13-23(26)24(18-19)34(31,32)29-16-14-28(15-17-29)21-6-4-3-5-7-21/h8-13,18,21H,2-7,14-17H2,1H3,(H,27,30)/p+1