N-butyl-5-phenyl-pyrido[3,4-b][1,5]benzothiazepine-8-sulfonamide

Systemtic Name: N-butyl-5-phenyl-pyrido[3,4-b][1,5]benzothiazepine-8-sulfonamide Openeye Name: N-butyl-5-phenyl-pyrido[3,4-b][1,5]benzothiazepine-8-sulfonamide CAS Name: N-butyl-5-phenyl-8-pyrido[3,4-b][1,5]benzothiazepinesulfonamide IUPAC Name: N-butyl-5-phenylpyrido[3,4-b][1,5]benzothiazepine-8-sulfonamide Traditional Name: N-butyl-5-phenyl-pyrido[3,4-b][1,5]benzothiazepine-8-sulfonamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CN=C3)C(=N2)C4=CC=CC=C4

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)SC3=C(C=CN=C3)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S2/c1-2-3-12-24-29(26,27)17-9-10-20-19(14-17)25-22(16-7-5-4-6-8-16)18-11-13-23-15-21(18)28-20/h4-11,13-15,24H,2-3,12H2,1H3