(3-fluoranyl-4-methyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-fluoranyl-4-methyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-fluoro-4-methyl-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-fluoro-4-methylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-fluoro-4-methylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-fluoro-4-methyl-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S/c1-15-4-8-18(9-5-15)27(25,26)23-11-3-10-22(12-13-23)20(24)17-7-6-16(2)19(21)14-17/h4-9,14H,3,10-13H2,1-2H3