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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Formula: C22H27FN2O3S2 MolecularWeight: 450.589783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H27FN2O3S2/c1-17-4-7-20(16-18(17)2)29-15-10-22(26)24-11-3-12-25(14-13-24)30(27,28)21-8-5-19(23)6-9-21/h4-9,16H,3,10-15H2,1-2H3