N-[2-(4-chlorophenyl)sulfanylethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(4-fluorophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(4-fluorophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carboxamide Formula: C19H21ClFN3O3S2 MolecularWeight: 457.969743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)NCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21ClFN3O3S2/c20-15-1-5-17(6-2-15)28-14-9-22-19(25)23-10-12-24(13-11-23)29(26,27)18-7-3-16(21)4-8-18/h1-8H,9-14H2,(H,22,25)