4-chloranyl-N-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-methyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-chloro-N-methyl-benzenesulfonamide CAS Name: 4-chloro-N-methyl-N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-chloro-N-methyl-benzenesulfonamide Formula: C25H27ClN3O3S+ MolecularWeight: 485.01818

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H26ClN3O3S/c1-27(33(31,32)24-13-9-22(26)10-14-24)23-11-7-21(8-12-23)25(30)29-17-15-28(16-18-29)19-20-5-3-2-4-6-20/h2-14H,15-19H2,1H3/p+1