4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N,N-diethyl-3-oxidanylidene-1,4-benzothiazine-6-sulfonamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N,N-diethyl-3-oxidanylidene-1,4-benzothiazine-6-sulfonamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-sulfonamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N,N-diethyl-3-keto-1,4-benzothiazine-6-sulfonamide Formula: C20H29N3O4S2 MolecularWeight: 439.59196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)SCC(=O)N2CC(=O)N3CCCCCC3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)SCC(=O)N2CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O4S2/c1-3-22(4-2)29(26,27)16-9-10-18-17(13-16)23(20(25)15-28-18)14-19(24)21-11-7-5-6-8-12-21/h9-10,13H,3-8,11-12,14-15H2,1-2H3