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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Cl

InChI

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