N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C21H27FN3O3S+ MolecularWeight: 420.520783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O3S/c1-2-17-4-8-19(9-5-17)23-21(26)16-24-12-3-13-25(15-14-24)29(27,28)20-10-6-18(22)7-11-20/h4-11H,2-3,12-16H2,1H3,(H,23,26)/p+1