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

Systemtic Name: 2-[[4-chloranyl-3-(trifluoromethyl)phenyl]-methylsulfonyl-amino]-N-(3-pyrrolidin-1-ylpropyl)ethanamide Openeye Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide CAS Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[3-(1-pyrrolidinyl)propyl]acetamide IUPAC Name: 2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(3-pyrrolidin-1-ylpropyl)acetamide Traditional Name: 2-[4-chloro-N-mesyl-3-(trifluoromethyl)anilino]-N-(3-pyrrolidinopropyl)acetamide Formula: C17H23ClF3N3O3S MolecularWeight: 441.89603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC(=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCC1)C2=CC(=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C17H23ClF3N3O3S/c1-28(26,27)24(13-5-6-15(18)14(11-13)17(19,20)21)12-16(25)22-7-4-10-23-8-2-3-9-23/h5-6,11H,2-4,7-10,12H2,1H3,(H,22,25)