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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-3-oxo-1,4-benzothiazin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-3-keto-1,4-benzothiazin-4-yl]-N-m-anisyl-acetamide Formula: C24H29N3O5S2 MolecularWeight: 503.63416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CN2C(=O)CSC3=C2C=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O5S2/c1-32-19-8-6-7-18(13-19)15-25-23(28)16-27-21-14-20(9-10-22(21)33-17-24(27)29)34(30,31)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12,15-17H2,1H3,(H,25,28)