5-chloranyl-2-nitro-N-[3-(phenylmethyl)sulfonylpropyl]-4-(trifluoromethyl)aniline

Systemtic Name: 5-chloranyl-2-nitro-N-[3-(phenylmethyl)sulfonylpropyl]-4-(trifluoromethyl)aniline Openeye Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-nitro-4-(trifluoromethyl)aniline CAS Name: 5-chloro-2-nitro-N-[3-(phenylmethyl)sulfonylpropyl]-4-(trifluoromethyl)aniline IUPAC Name: N-(3-benzylsulfonylpropyl)-5-chloro-2-nitro-4-(trifluoromethyl)aniline Traditional Name: 3-benzylsulfonylpropyl-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C17H16ClF3N2O4S MolecularWeight: 436.83315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCNC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCNC2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClF3N2O4S/c18-14-10-15(16(23(24)25)9-13(14)17(19,20)21)22-7-4-8-28(26,27)11-12-5-2-1-3-6-12/h1-3,5-6,9-10,22H,4,7-8,11H2