N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-[2-[4-(2-pyridyl)piperazino]sulfonylethyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C24H26N4O3S2 MolecularWeight: 482.61824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCCS(=O)(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)NCCS(=O)(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C24H26N4O3S2/c29-24(21-17-19-9-8-18-5-1-2-6-20(18)23(19)32-21)26-11-16-33(30,31)28-14-12-27(13-15-28)22-7-3-4-10-25-22/h1-7,10,17H,8-9,11-16H2,(H,26,29)