N-[2,6-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]methanesulfonamide

Systemtic Name: N-[2,6-dimethyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]methanesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2,6-dimethyl-phenyl]methanesulfonamide CAS Name: N-[2,6-dimethyl-3-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]methanesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2,6-dimethylphenyl]methanesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-2,6-dimethyl-phenyl]methanesulfonamide Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C)NS(=O)(=O)C

InChI

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