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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=CC(=CN=C4C=C3)N5CCNCC5

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=CC(=CN=C4C=C3)N5CCNCC5

InChI

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