3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[4-(4-fluorophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(4-fluorophenyl)piperazino]propan-1-one Formula: C25H32FN3O3S MolecularWeight: 473.603283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H32FN3O3S/c26-22-8-10-23(11-9-22)27-17-19-28(20-18-27)25(30)14-7-21-5-12-24(13-6-21)33(31,32)29-15-3-1-2-4-16-29/h5-6,8-13H,1-4,7,14-20H2