(2-chloranyl-6-fluoranyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-6-fluoro-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-6-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-6-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-6-fluoro-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H20ClFN2O3S MolecularWeight: 410.890103

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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=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFN2O3S/c1-14-6-8-15(9-7-14)27(25,26)23-11-3-10-22(12-13-23)19(24)18-16(20)4-2-5-17(18)21/h2,4-9H,3,10-13H2,1H3