6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-piperonylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)SCC(=O)N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)SCC(=O)N5

InChI

InChI=1S/C21H21N3O4S/c25-20-12-29-19-4-2-15(10-16(19)22-20)21(26)24-7-5-23(6-8-24)11-14-1-3-17-18(9-14)28-13-27-17/h1-4,9-10H,5-8,11-13H2,(H,22,25)