azepan-1-yl-[3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]methanone

Systemtic Name: azepan-1-yl-[3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]methanone Openeye Name: azepan-1-yl-[3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]methanone CAS Name: 1-azepanyl-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-5-phenylphenyl]methanone IUPAC Name: azepan-1-yl-[3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenylphenyl]methanone Traditional Name: azepan-1-yl-[3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]methanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c1-25-13-15-27(16-14-25)31(29,30)23-18-21(20-9-5-4-6-10-20)17-22(19-23)24(28)26-11-7-2-3-8-12-26/h4-6,9-10,17-19H,2-3,7-8,11-16H2,1H3/p+1