5-chloranyl-N-(4-methoxy-3-piperazin-1-ium-1-yl-phenyl)-3-methyl-1-benzothiophene-2-sulfonamide chloride

Systemtic Name: 5-chloranyl-N-(4-methoxy-3-piperazin-1-ium-1-yl-phenyl)-3-methyl-1-benzothiophene-2-sulfonamide chloride Openeye Name: 5-chloro-N-(4-methoxy-3-piperazin-1-ium-1-yl-phenyl)-3-methyl-benzothiophene-2-sulfonamide chloride CAS Name: 5-chloro-N-[4-methoxy-3-(1-piperazin-1-iumyl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide chloride IUPAC Name: 5-chloro-N-(4-methoxy-3-piperazin-1-ium-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide chloride Traditional Name: 5-chloro-N-(4-methoxy-3-piperazin-1-ium-1-yl-phenyl)-3-methyl-benzothiophene-2-sulfonamide chloride Formula: C20H23Cl2N3O3S2 MolecularWeight: 488.45092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)[NH+]4CCNCC4.[Cl-]

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)[NH+]4CCNCC4.[Cl-]

InChI

InChI=1S/C20H22ClN3O3S2.ClH/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24;/h3-6,11-12,22-23H,7-10H2,1-2H3;1H