4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(p-tolylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(4-methylbenzyl)-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)CNC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFN3O3S/c1-15-3-5-16(6-4-15)14-23-20(26)24-9-2-10-25(12-11-24)29(27,28)17-7-8-19(22)18(21)13-17/h3-8,13H,2,9-12,14H2,1H3,(H,23,26)