4-(4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide Formula: C20H22F3N3O3S MolecularWeight: 441.46719

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S/c1-30(28,29)16-9-7-15(8-10-16)25-11-4-12-26(14-13-25)19(27)24-18-6-3-2-5-17(18)20(21,22)23/h2-3,5-10H,4,11-14H2,1H3,(H,24,27)