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

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H27BrN3O3S+ MolecularWeight: 493.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4CC4)Br

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC4CC4)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-16-4-2-3-5-17(16)15-25-10-12-26(13-11-25)22(27)20-14-19(8-9-21(20)23)30(28,29)24-18-6-7-18/h2-5,8-9,14,18,24H,6-7,10-13,15H2,1H3/p+1