1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane Formula: C17H28N3O4S2+ MolecularWeight: 402.55192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H27N3O4S2/c1-18-12-14-20(15-13-18)26(23,24)17-8-6-16(7-9-17)25(21,22)19-10-4-2-3-5-11-19/h6-9H,2-5,10-15H2,1H3/p+1