5,7-bis(chloranyl)-3-methyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide

Systemtic Name: 5,7-bis(chloranyl)-3-methyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide Openeye Name: 5,7-dichloro-3-methyl-N-(4-piperazin-1-yl-6-quinolyl)benzothiophene-2-sulfonamide CAS Name: 5,7-dichloro-3-methyl-N-[4-(1-piperazinyl)-6-quinolinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5,7-dichloro-3-methyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide Traditional Name: 5,7-dichloro-3-methyl-N-(4-piperazino-6-quinolyl)benzothiophene-2-sulfonamide Formula: C22H20Cl2N4O2S2 MolecularWeight: 507.4558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C(C=C(C=C12)Cl)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5

Isomeric SMILES

CC1=C(SC2=C(C=C(C=C12)Cl)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5

InChI

InChI=1S/C22H20Cl2N4O2S2/c1-13-16-10-14(23)11-18(24)21(16)31-22(13)32(29,30)27-15-2-3-19-17(12-15)20(4-5-26-19)28-8-6-25-7-9-28/h2-5,10-12,25,27H,6-9H2,1H3