N-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide CAS Name: N-(4-chlorophenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-(4-chlorophenyl)benzenesulfonamide Formula: C24H25ClN3O3S+ MolecularWeight: 470.9916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O3S/c25-21-8-10-22(11-9-21)26-32(30,31)23-12-6-20(7-13-23)24(29)28-16-14-27(15-17-28)18-19-4-2-1-3-5-19/h1-13,26H,14-18H2/p+1