2,4-bis(chloranyl)-N-cyclopropyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: 2,4-bis(chloranyl)-N-cyclopropyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 2,4-dichloro-N-cyclopropyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: 2,4-dichloro-N-cyclopropyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 2,4-dichloro-N-cyclopropyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: 2,4-dichloro-N-cyclopropyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C19H21Cl2N4O3S+ MolecularWeight: 456.36604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl)Cl

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl)Cl

InChI

InChI=1S/C19H20Cl2N4O3S/c20-15-12-16(21)17(29(27,28)23-13-4-5-13)11-14(15)19(26)25-9-7-24(8-10-25)18-3-1-2-6-22-18/h1-3,6,11-13,23H,4-5,7-10H2/p+1