6-(azepan-1-ylsulfonyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,4-benzothiazin-3-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-1,4-benzothiazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-(2-morpholino-2-oxo-ethyl)-1,4-benzothiazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-(4-morpholinyl)-2-oxoethyl]-1,4-benzothiazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzothiazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-(2-keto-2-morpholino-ethyl)-1,4-benzothiazin-3-one Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)N4CCOCC4

InChI

InChI=1S/C20H27N3O5S2/c24-19(21-9-11-28-12-10-21)14-23-17-13-16(5-6-18(17)29-15-20(23)25)30(26,27)22-7-3-1-2-4-8-22/h5-6,13H,1-4,7-12,14-15H2