4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(2-thienylmethyl)piperazine-1-carboxamide CAS Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(thiophen-2-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(2-thenyl)piperazine-1-carboxamide Formula: C17H17ClF3N3O3S2 MolecularWeight: 467.91339

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CC=CS2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CC=CS2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H17ClF3N3O3S2/c18-14-4-3-12(17(19,20)21)10-15(14)29(26,27)24-7-5-23(6-8-24)16(25)22-11-13-2-1-9-28-13/h1-4,9-10H,5-8,11H2,(H,22,25)