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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-butan-2-yl-ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-sec-butyl-acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-butan-2-ylacetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-butan-2-ylacetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzothiazin-4-yl]-N-sec-butyl-acetamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC(C)NC(=O)CN1C(=O)CSC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O4S2/c1-3-15(2)21-19(24)13-23-17-12-16(8-9-18(17)28-14-20(23)25)29(26,27)22-10-6-4-5-7-11-22/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,21,24)