5-chloranyl-2-methyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-3-sulfonamide

Systemtic Name: 5-chloranyl-2-methyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-3-sulfonamide Openeye Name: 5-chloro-2-methyl-N-(4-piperazin-1-yl-6-quinolyl)benzothiophene-3-sulfonamide CAS Name: 5-chloro-2-methyl-N-[4-(1-piperazinyl)-6-quinolinyl]-1-benzothiophene-3-sulfonamide IUPAC Name: 5-chloro-2-methyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-3-sulfonamide Traditional Name: 5-chloro-2-methyl-N-(4-piperazino-6-quinolyl)benzothiophene-3-sulfonamide Formula: C22H21ClN4O2S2 MolecularWeight: 473.01074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5

InChI

InChI=1S/C22H21ClN4O2S2/c1-14-22(18-12-15(23)2-5-21(18)30-14)31(28,29)26-16-3-4-19-17(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3