ethyl (E)-6-[2-azanylethyl-(2-nitrophenyl)sulfonyl-amino]-3-(trifluoromethyl)hex-2-en-4-ynoate

Systemtic Name: ethyl (E)-6-[2-azanylethyl-(2-nitrophenyl)sulfonyl-amino]-3-(trifluoromethyl)hex-2-en-4-ynoate Openeye Name: ethyl (E)-6-[2-aminoethyl-(2-nitrophenyl)sulfonyl-amino]-3-(trifluoromethyl)hex-2-en-4-ynoate CAS Name: (E)-6-[2-aminoethyl-(2-nitrophenyl)sulfonylamino]-3-(trifluoromethyl)hex-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-6-[2-aminoethyl-(2-nitrophenyl)sulfonylamino]-3-(trifluoromethyl)hex-2-en-4-ynoate Traditional Name: (E)-6-[2-aminoethyl-(2-nitrophenyl)sulfonyl-amino]-3-(trifluoromethyl)hex-2-en-4-ynoic acid ethyl ester Formula: C17H18F3N3O6S MolecularWeight: 449.40153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C#CCN(CCN)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)/C=C(\C#CCN(CCN)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])/C(F)(F)F

InChI

InChI=1S/C17H18F3N3O6S/c1-2-29-16(24)12-13(17(18,19)20)6-5-10-22(11-9-21)30(27,28)15-8-4-3-7-14(15)23(25)26/h3-4,7-8,12H,2,9-11,21H2,1H3/b13-12+