1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-fluorophenyl)piperazine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-fluorophenyl)piperazine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-fluorophenyl)piperazine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-fluorophenyl)piperazine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-fluorophenyl)piperazine Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-(2-fluorophenyl)piperazine Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)OC1

InChI

InChI=1S/C19H21FN2O4S/c20-16-4-1-2-5-17(16)21-8-10-22(11-9-21)27(23,24)15-6-7-18-19(14-15)26-13-3-12-25-18/h1-2,4-7,14H,3,8-13H2