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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-phenethyl-ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-phenethyl-acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-phenethylacetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-phenethylacetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzothiazin-4-yl]-N-phenethyl-acetamide Formula: C24H29N3O4S2 MolecularWeight: 487.63476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4S2/c28-23(25-13-12-19-8-4-3-5-9-19)17-27-21-16-20(10-11-22(21)32-18-24(27)29)33(30,31)26-14-6-1-2-7-15-26/h3-5,8-11,16H,1-2,6-7,12-15,17-18H2,(H,25,28)