4-chloranyl-N-[2-[4-(4-chloranyl-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-methoxy-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-[4-(4-chloranyl-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-methoxy-benzenesulfonamide Openeye Name: 4-chloro-N-[2-[4-(4-chloro-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-methoxy-benzenesulfonamide CAS Name: 4-chloro-N-[2-[4-(4-chloro-3-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-3-methoxybenzenesulfonamide IUPAC Name: 4-chloro-N-[2-[4-(4-chloro-3-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-methoxybenzenesulfonamide Traditional Name: 4-chloro-N-[2-[4-(4-chloro-3-methoxy-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-3-methoxy-benzenesulfonamide Formula: C20H26Cl2N3O6S2+ MolecularWeight: 539.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)OC)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)NCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)OC)Cl

InChI

InChI=1S/C20H25Cl2N3O6S2/c1-30-19-13-15(3-5-17(19)21)32(26,27)23-7-8-24-9-11-25(12-10-24)33(28,29)16-4-6-18(22)20(14-16)31-2/h3-6,13-14,23H,7-12H2,1-2H3/p+1