N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C19H24FN4O4S+ MolecularWeight: 423.481663

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H23FN4O4S/c1-22-9-2-4-17(22)19(26)21-18(25)14-23-10-3-11-24(13-12-23)29(27,28)16-7-5-15(20)6-8-16/h2,4-9H,3,10-14H2,1H3,(H,21,25,26)/p+1