2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O4S/c1-16-4-7-18(8-5-16)29(26,27)24-11-3-10-23(12-13-24)21(25)15-17-6-9-20(28-2)19(22)14-17/h4-9,14H,3,10-13,15H2,1-2H3