N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide CAS Name: N-ethyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzenesulfonamide Traditional Name: N-benzyl-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H27N3O4S2/c1-3-22(17-18-7-5-4-6-8-18)28(24,25)19-9-11-20(12-10-19)29(26,27)23-15-13-21(2)14-16-23/h4-12H,3,13-17H2,1-2H3/p+1