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methyl 4-chloranyl-2-[3-cyanopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]benzoate

methyl 4-chloranyl-2-[3-cyanopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]benzoate

Systemtic Name:methyl 4-chloranyl-2-[3-cyanopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]benzoate
Openeye Name:methyl 4-chloro-2-[3-cyanopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]benzoate
CAS Name:4-chloro-2-[3-cyanopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid methyl ester
IUPAC Name:methyl 4-chloro-2-[3-cyanopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
Traditional Name:4-chloro-2-[3-cyanopropyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]benzoic acid methyl ester
Formula: C19H16ClF3N2O4S
MolecularWeight: 460.85455
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)N(CCCC#N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F


Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)N(CCCC#N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F


InChI

InChI=1S/C19H16ClF3N2O4S/c1-29-18(26)16-8-7-14(20)12-17(16)25(10-3-2-9-24)30(27,28)15-6-4-5-13(11-15)19(21,22)23/h4-8,11-12H,2-3,10H2,1H3


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