6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)SCC(=O)N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(C=C4)SCC(=O)N5)OC1

InChI

InChI=1S/C22H23N3O6S2/c26-21-14-32-20-5-2-15(12-17(20)23-21)22(27)24-6-8-25(9-7-24)33(28,29)16-3-4-18-19(13-16)31-11-1-10-30-18/h2-5,12-13H,1,6-11,14H2,(H,23,26)