N-butyl-6-phenyl-pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide

Systemtic Name: N-butyl-6-phenyl-pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide Openeye Name: N-butyl-6-phenyl-pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide CAS Name: N-butyl-6-phenyl-3-pyrazino[2,3-b][1,4]benzothiazepinesulfonamide IUPAC Name: N-butyl-6-phenylpyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide Traditional Name: N-butyl-6-phenyl-pyrazino[2,3-b][1,4]benzothiazepine-3-sulfonamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CN=C2C(=N1)N=C(C3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CCCCNS(=O)(=O)C1=CN=C2C(=N1)N=C(C3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S2/c1-2-3-13-23-29(26,27)18-14-22-21-20(24-18)25-19(15-9-5-4-6-10-15)16-11-7-8-12-17(16)28-21/h4-12,14,23H,2-3,13H2,1H3