7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-6-chloranyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one CAS Name: 7-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-6-chloro-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-6-chloro-4H-1,4-benzoxazin-3-one Traditional Name: 6-chloro-7-(4-piperonylpiperazino)sulfonyl-4H-1,4-benzoxazin-3-one Formula: C20H20ClN3O6S MolecularWeight: 465.9073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=C5C(=C4)OCC(=O)N5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=C5C(=C4)OCC(=O)N5)Cl

InChI

InChI=1S/C20H20ClN3O6S/c21-14-8-15-17(28-11-20(25)22-15)9-19(14)31(26,27)24-5-3-23(4-6-24)10-13-1-2-16-18(7-13)30-12-29-16/h1-2,7-9H,3-6,10-12H2,(H,22,25)