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

Systemtic Name: 5-chloranyl-3-ethyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-3-ethyl-N-(4-piperazin-1-yl-6-quinolyl)benzothiophene-2-sulfonamide CAS Name: 5-chloro-3-ethyl-N-[4-(1-piperazinyl)-6-quinolinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-3-ethyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-3-ethyl-N-(4-piperazino-6-quinolyl)benzothiophene-2-sulfonamide Formula: C23H23ClN4O2S2 MolecularWeight: 487.03732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5

Isomeric SMILES

CCC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5

InChI

InChI=1S/C23H23ClN4O2S2/c1-2-17-18-13-15(24)3-6-22(18)31-23(17)32(29,30)27-16-4-5-20-19(14-16)21(7-8-26-20)28-11-9-25-10-12-28/h3-8,13-14,25,27H,2,9-12H2,1H3