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

Systemtic Name: 4-chloranyl-N-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-chloro-N-methyl-3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-chloro-N-methyl-3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-chloro-N-methyl-3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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)NC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-15-5-3-4-6-16(15)14-23-9-11-24(12-10-23)20(25)18-13-17(7-8-19(18)21)28(26,27)22-2/h3-8,13,22H,9-12,14H2,1-2H3/p+1