3-(3-chloranyl-4-methyl-phenyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClFN2O3S/c1-16-3-4-17(15-20(16)22)5-10-21(26)24-11-2-12-25(14-13-24)29(27,28)19-8-6-18(23)7-9-19/h3-4,6-9,15H,2,5,10-14H2,1H3