1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-naphthalen-2-ylsulfonyl-piperazine

Systemtic Name: 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-naphthalen-2-ylsulfonyl-piperazine Openeye Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2-naphthylsulfonyl)piperazine CAS Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2-naphthalenylsulfonyl)piperazine IUPAC Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-naphthalen-2-ylsulfonylpiperazine Traditional Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(2-naphthylsulfonyl)piperazine Formula: C21H17ClF3N3O4S MolecularWeight: 499.89059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17ClF3N3O4S/c22-18-13-19(20(28(29)30)12-17(18)21(23,24)25)26-7-9-27(10-8-26)33(31,32)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,11-13H,7-10H2