N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-5-mesyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C18H16ClF3N2O4S MolecularWeight: 448.84385

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC(OC2=CC=CC=C21)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H16ClF3N2O4S/c1-29(26,27)24-9-8-16(28-15-5-3-2-4-14(15)24)17(25)23-11-6-7-13(19)12(10-11)18(20,21)22/h2-7,10,16H,8-9H2,1H3,(H,23,25)