N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-15-6-8-17(13-20(15)31(28,29)25-10-4-2-3-5-11-25)23-22(27)16-7-9-19-18(12-16)24-21(26)14-30-19/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,27)(H,24,26)