N-(2-ethoxyphenyl)-2-fluoranyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2-ethoxyphenyl)-2-fluoranyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2-ethoxyphenyl)-2-fluoro-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2-ethoxyphenyl)-2-fluoro-5-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: N-(2-ethoxyphenyl)-2-fluoro-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzamide Traditional Name: 2-fluoro-N-o-phenetyl-5-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-benzamide Formula: C24H26FN4O4S+ MolecularWeight: 485.551043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)F

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)F

InChI

InChI=1S/C24H25FN4O4S/c1-2-33-22-8-4-3-7-21(22)27-24(30)19-17-18(10-11-20(19)25)34(31,32)29-15-13-28(14-16-29)23-9-5-6-12-26-23/h3-12,17H,2,13-16H2,1H3,(H,27,30)/p+1