5-chloranyl-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[4-(4-methylpiperazin-1-yl)-6-quinolyl]benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[4-(4-methyl-1-piperazinyl)-6-quinolinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[4-(4-methylpiperazino)-6-quinolyl]benzothiophene-2-sulfonamide Formula: C22H21ClN4O2S2 MolecularWeight: 473.01074

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C=C(C=CC3=NC=C2)NS(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C3C=C(C=CC3=NC=C2)NS(=O)(=O)C4=CC5=C(S4)C=CC(=C5)Cl

InChI

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