1-[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[4-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]sulfonylphenyl]sulfonylazepane Formula: C23H31ClN3O4S2+ MolecularWeight: 513.09294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClN3O4S2/c24-21-7-5-20(6-8-21)19-25-15-17-27(18-16-25)33(30,31)23-11-9-22(10-12-23)32(28,29)26-13-3-1-2-4-14-26/h5-12H,1-4,13-19H2/p+1