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

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]sulfonylazepane Formula: C18H30N3O4S2+ MolecularWeight: 416.5785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S2/c1-2-19-13-15-21(16-14-19)27(24,25)18-9-7-17(8-10-18)26(22,23)20-11-5-3-4-6-12-20/h7-10H,2-6,11-16H2,1H3/p+1