N-(3-chloranyl-4-methoxy-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]methanesulfonamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]methanesulfonamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]methanesulfonamide CAS Name: N-(3-chloro-4-methoxyphenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]methanesulfonamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]methanesulfonamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-N-[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]methanesulfonamide Formula: C17H27ClN3O4S+ MolecularWeight: 404.93198

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCN(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H26ClN3O4S/c1-19-9-11-20(12-10-19)17(22)5-4-8-21(26(3,23)24)14-6-7-16(25-2)15(18)13-14/h6-7,13H,4-5,8-12H2,1-3H3/p+1