3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide Openeye Name: 3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-thienylmethyl)benzenesulfonamide CAS Name: 3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide IUPAC Name: 3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide Traditional Name: 3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-thenyl)benzenesulfonamide Formula: C22H25N4O3S2+ MolecularWeight: 457.5889

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H24N4O3S2/c27-22(26-12-10-25(11-13-26)17-18-6-8-23-9-7-18)19-3-1-5-21(15-19)31(28,29)24-16-20-4-2-14-30-20/h1-9,14-15,24H,10-13,16-17H2/p+1