2'-butyl-3'-[4-(4-fluorophenyl)piperazin-1-yl]-5'-methoxy-spiro[1,3-dioxolane-2,4'-3H-1$l^{6},2-benzothiazine] 1',1'-dioxide

Systemtic Name: 2'-butyl-3'-[4-(4-fluorophenyl)piperazin-1-yl]-5'-methoxy-spiro[1,3-dioxolane-2,4'-3H-1$l^{6},2-benzothiazine] 1',1'-dioxide Openeye Name: 2'-butyl-3'-[4-(4-fluorophenyl)piperazin-1-yl]-5'-methoxy-spiro[1,3-dioxolane-2,4'-3H-1$l^{6},2-benzothiazine] 1',1'-dioxide CAS Name: 2'-butyl-3'-[4-(4-fluorophenyl)-1-piperazinyl]-5'-methoxyspiro[1,3-dioxolane-2,4'-3H-1$l^{6},2-benzothiazine] 1',1'-dioxide IUPAC Name: 2'-butyl-3'-[4-(4-fluorophenyl)piperazin-1-yl]-5'-methoxyspiro[1,3-dioxolane-2,4'-3H-1$l^{6},2-benzothiazine] 1',1'-dioxide Traditional Name: 2'-butyl-3'-[4-(4-fluorophenyl)piperazino]-5'-methoxy-spiro[1,3-dioxolane-2,4'-3H-1$l^{6},2-benzothiazine] 1',1'-dioxide Formula: C25H32FN3O5S MolecularWeight: 505.602083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2(C3=C(C=CC=C3S1(=O)=O)OC)OCCO2)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCN1C(C2(C3=C(C=CC=C3S1(=O)=O)OC)OCCO2)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H32FN3O5S/c1-3-4-12-29-24(28-15-13-27(14-16-28)20-10-8-19(26)9-11-20)25(33-17-18-34-25)23-21(32-2)6-5-7-22(23)35(29,30)31/h5-11,24H,3-4,12-18H2,1-2H3