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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C=CC(=CC2=C1N3CCNCC3)NS(=O)(=O)C4=C(C5=C(S4)C=CC(=C5)Cl)C

Isomeric SMILES

CC1=CN=C2C=CC(=CC2=C1N3CCNCC3)NS(=O)(=O)C4=C(C5=C(S4)C=CC(=C5)Cl)C

InChI

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