2-chloranyl-N-(phenylmethyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(phenylmethyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-benzyl-2-chloro-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2-chloro-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-2-chloro-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-benzyl-2-chloro-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C23H24ClN4O3S+ MolecularWeight: 471.97966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O3S/c24-20-10-9-19(16-21(20)32(30,31)26-17-18-6-2-1-3-7-18)23(29)28-14-12-27(13-15-28)22-8-4-5-11-25-22/h1-11,16,26H,12-15,17H2/p+1