4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-N-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-N-tosyl-1,4-diazepane-1-carboxamide Formula: C20H23ClFN3O3S MolecularWeight: 439.931323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H23ClFN3O3S/c1-15-6-8-16(9-7-15)29(27,28)23-20(26)25-11-3-10-24(12-13-25)14-17-18(21)4-2-5-19(17)22/h2,4-9H,3,10-14H2,1H3,(H,23,26)