2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[4-chloro-N-mesyl-3-(trifluoromethyl)anilino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C16H18ClF3N4O3S MolecularWeight: 438.85233

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1C=CN=C1)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C16H18ClF3N4O3S/c1-28(26,27)24(12-3-4-14(17)13(9-12)16(18,19)20)10-15(25)22-5-2-7-23-8-6-21-11-23/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,22,25)