5-chloranyl-3-methyl-N-(2-methyl-4-piperazin-1-yl-quinolin-6-yl)-1-benzofuran-2-sulfonamide

Systemtic Name: 5-chloranyl-3-methyl-N-(2-methyl-4-piperazin-1-yl-quinolin-6-yl)-1-benzofuran-2-sulfonamide Openeye Name: 5-chloro-3-methyl-N-(2-methyl-4-piperazin-1-yl-6-quinolyl)benzofuran-2-sulfonamide CAS Name: 5-chloro-3-methyl-N-[2-methyl-4-(1-piperazinyl)-6-quinolinyl]-2-benzofuransulfonamide IUPAC Name: 5-chloro-3-methyl-N-(2-methyl-4-piperazin-1-ylquinolin-6-yl)-1-benzofuran-2-sulfonamide Traditional Name: 5-chloro-3-methyl-N-(2-methyl-4-piperazino-6-quinolyl)benzofuran-2-sulfonamide Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NS(=O)(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)C)C(=C1)N5CCNCC5

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NS(=O)(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)C)C(=C1)N5CCNCC5

InChI

InChI=1S/C23H23ClN4O3S/c1-14-11-21(28-9-7-25-8-10-28)19-13-17(4-5-20(19)26-14)27-32(29,30)23-15(2)18-12-16(24)3-6-22(18)31-23/h3-6,11-13,25,27H,7-10H2,1-2H3