N-(azepan-1-yl)-6-pyridin-2-yl-pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide

Systemtic Name: N-(azepan-1-yl)-6-pyridin-2-yl-pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide Openeye Name: N-(azepan-1-yl)-6-(2-pyridyl)pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide CAS Name: N-(1-azepanyl)-6-(2-pyridinyl)-3-pyrazino[2,3-b][1,4]benzothiazepinesulfonamide IUPAC Name: N-(azepan-1-yl)-6-pyridin-2-ylpyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide Traditional Name: N-(azepan-1-yl)-6-(2-pyridyl)pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide Formula: C22H22N6O2S2 MolecularWeight: 466.57908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NS(=O)(=O)C2=CN=C3C(=N2)N=C(C4=CC=CC=C4S3)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)NS(=O)(=O)C2=CN=C3C(=N2)N=C(C4=CC=CC=C4S3)C5=CC=CC=N5

InChI

InChI=1S/C22H22N6O2S2/c29-32(30,27-28-13-7-1-2-8-14-28)19-15-24-22-21(25-19)26-20(17-10-5-6-12-23-17)16-9-3-4-11-18(16)31-22/h3-6,9-12,15,27H,1-2,7-8,13-14H2