2,3,5,6-tetramethyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 2,3,5,6-tetramethyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide CAS Name: 2,3,5,6-tetramethyl-N-[2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-2,3,5,6-tetramethyl-benzenesulfonamide Formula: C28H34N3O3S+ MolecularWeight: 492.65286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H33N3O3S/c1-20-18-21(2)23(4)27(22(20)3)35(33,34)29-26-13-9-8-12-25(26)28(32)31-16-14-30(15-17-31)19-24-10-6-5-7-11-24/h5-13,18,29H,14-17,19H2,1-4H3/p+1