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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-cyclopentyl-acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-cyclopentylacetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzothiazin-4-yl]-N-cyclopentyl-acetamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NC4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NC4CCCC4

InChI

InChI=1S/C21H29N3O4S2/c25-20(22-16-7-3-4-8-16)14-24-18-13-17(9-10-19(18)29-15-21(24)26)30(27,28)23-11-5-1-2-6-12-23/h9-10,13,16H,1-8,11-12,14-15H2,(H,22,25)