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

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (5-fluoro-2-methoxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-fluoro-2-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (5-fluoro-2-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (5-fluoro-2-methoxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O4S/c1-15-4-7-17(8-5-15)28(25,26)23-11-3-10-22(12-13-23)20(24)18-14-16(21)6-9-19(18)27-2/h4-9,14H,3,10-13H2,1-2H3