N-(6-oxidanylidene-5-propyl-benzo[b][1,4]benzothiazepin-3-yl)-2-(phenylsulfonylamino)ethanamide

Systemtic Name: N-(6-oxidanylidene-5-propyl-benzo[b][1,4]benzothiazepin-3-yl)-2-(phenylsulfonylamino)ethanamide Openeye Name: 2-(benzenesulfonamido)-N-(6-oxo-5-propyl-benzo[b][1,4]benzothiazepin-3-yl)acetamide CAS Name: 2-(benzenesulfonamido)-N-(6-oxo-5-propyl-3-benzo[b][1,4]benzothiazepinyl)acetamide IUPAC Name: 2-(benzenesulfonamido)-N-(6-oxo-5-propylbenzo[b][1,4]benzothiazepin-3-yl)acetamide Traditional Name: 2-(benzenesulfonamido)-N-(6-keto-5-propyl-benzo[b][1,4]benzothiazepin-3-yl)acetamide Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)CNS(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)CNS(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C24H23N3O4S2/c1-2-14-27-20-15-17(12-13-22(20)32-21-11-7-6-10-19(21)24(27)29)26-23(28)16-25-33(30,31)18-8-4-3-5-9-18/h3-13,15,25H,2,14,16H2,1H3,(H,26,28)