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

Systemtic Name: N-methoxy-N-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-methoxy-N-methyl-3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-methoxy-N-methyl-3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-methoxy-N-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-methoxy-N-methyl-3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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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)N(C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-17-7-4-5-8-19(17)16-23-11-13-24(14-12-23)21(25)18-9-6-10-20(15-18)29(26,27)22(2)28-3/h4-10,15H,11-14,16H2,1-3H3/p+1