6-[3-(azepan-1-yl)-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[3-(azepan-1-yl)-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[3-(azepan-1-yl)-3-oxo-propyl]sulfonyl-4H-1,4-benzothiazin-3-one CAS Name: 6-[3-(1-azepanyl)-3-oxopropyl]sulfonyl-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[3-(azepan-1-yl)-3-oxopropyl]sulfonyl-4H-1,4-benzothiazin-3-one Traditional Name: 6-[3-(azepan-1-yl)-3-keto-propyl]sulfonyl-4H-1,4-benzothiazin-3-one Formula: C17H22N2O4S2 MolecularWeight: 382.49758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C17H22N2O4S2/c20-16-12-24-15-6-5-13(11-14(15)18-16)25(22,23)10-7-17(21)19-8-3-1-2-4-9-19/h5-6,11H,1-4,7-10,12H2,(H,18,20)