2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide

Systemtic Name: 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide Openeye Name: 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide CAS Name: 2-butyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-4,4-dimethoxy-2,3-dihydro-1-benzothiopyran 1,1-dioxide IUPAC Name: 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide Traditional Name: 2-butyl-3-[4-(4-fluorophenyl)piperazino]-4,4-dimethoxy-2,3-dihydrothiochromene 1,1-dioxide Formula: C25H33FN2O4S MolecularWeight: 476.603923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C(C2=CC=CC=C2S1(=O)=O)(OC)OC)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1C(C(C2=CC=CC=C2S1(=O)=O)(OC)OC)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H33FN2O4S/c1-4-5-9-23-24(28-17-15-27(16-18-28)20-13-11-19(26)12-14-20)25(31-2,32-3)21-8-6-7-10-22(21)33(23,29)30/h6-8,10-14,23-24H,4-5,9,15-18H2,1-3H3