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

Systemtic Name: 5-chloranyl-3,7-dimethyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-3,7-dimethyl-N-(4-piperazin-1-yl-6-quinolyl)benzothiophene-2-sulfonamide CAS Name: 5-chloro-3,7-dimethyl-N-[4-(1-piperazinyl)-6-quinolinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-3,7-dimethyl-N-(4-piperazin-1-ylquinolin-6-yl)-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-3,7-dimethyl-N-(4-piperazino-6-quinolyl)benzothiophene-2-sulfonamide Formula: C23H23ClN4O2S2 MolecularWeight: 487.03732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C(=C(S2)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5)C

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C(=C(S2)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNCC5)C

InChI

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