2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: 2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-cyclopropyl-propanamide Openeye Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-cyclopropyl-propanamide CAS Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-N-cyclopropylpropanamide IUPAC Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide Traditional Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]-N-cyclopropyl-propionamide Formula: C17H21ClF3N3O3S MolecularWeight: 439.88015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1CC1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H21ClF3N3O3S/c1-11(16(25)22-12-2-3-12)23-6-8-24(9-7-23)28(26,27)13-4-5-15(18)14(10-13)17(19,20)21/h4-5,10-12H,2-3,6-9H2,1H3,(H,22,25)