N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-tert-butyl-3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-tert-butyl-3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-tert-butyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-tert-butyl-3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C23H31N3O3S/c1-18-8-5-6-9-20(18)17-25-12-14-26(15-13-25)22(27)19-10-7-11-21(16-19)30(28,29)24-23(2,3)4/h5-11,16,24H,12-15,17H2,1-4H3/p+1