2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-cyclopropyl-acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-cyclopropylacetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-cyclopropylacetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzothiazin-4-yl]-N-cyclopropyl-acetamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NC4CC4

InChI

InChI=1S/C19H25N3O4S2/c23-18(20-14-5-6-14)12-22-16-11-15(7-8-17(16)27-13-19(22)24)28(25,26)21-9-3-1-2-4-10-21/h7-8,11,14H,1-6,9-10,12-13H2,(H,20,23)