1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Formula: C20H23FN2O5S2 MolecularWeight: 454.535423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23FN2O5S2/c21-17-7-9-19(10-8-17)30(27,28)23-13-4-12-22(14-15-23)20(24)11-16-29(25,26)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2