6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]sulfonyl-4H-1,4-benzothiazin-3-one CAS Name: 6-[3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]sulfonyl-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]sulfonyl-4H-1,4-benzothiazin-3-one Traditional Name: 6-[3-keto-3-[4-(4-methoxyphenyl)piperazino]propyl]sulfonyl-4H-1,4-benzothiazin-3-one Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C22H25N3O5S2/c1-30-17-4-2-16(3-5-17)24-9-11-25(12-10-24)22(27)8-13-32(28,29)18-6-7-20-19(14-18)23-21(26)15-31-20/h2-7,14H,8-13,15H2,1H3,(H,23,26)