4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,4-benzothiazin-3-one

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,4-benzothiazin-3-one Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-6-[(4-methyl-1-piperidyl)sulfonyl]-1,4-benzothiazin-3-one CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-6-[(4-methyl-1-piperidinyl)sulfonyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,4-benzothiazin-3-one Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-6-(4-methylpiperidino)sulfonyl-1,4-benzothiazin-3-one Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3CC(=O)N4CCCCCC4

InChI

InChI=1S/C22H31N3O4S2/c1-17-8-12-24(13-9-17)31(28,29)18-6-7-20-19(14-18)25(22(27)16-30-20)15-21(26)23-10-4-2-3-5-11-23/h6-7,14,17H,2-5,8-13,15-16H2,1H3