N-[4-[3,5-bis(trifluoromethyl)phenoxy]but-2-ynyl]-2-chloranyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-[3,5-bis(trifluoromethyl)phenoxy]but-2-ynyl]-2-chloranyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-[3,5-bis(trifluoromethyl)phenoxy]but-2-ynyl]-2-chloro-5-nitro-benzenesulfonamide CAS Name: N-[4-[3,5-bis(trifluoromethyl)phenoxy]but-2-ynyl]-2-chloro-5-nitrobenzenesulfonamide IUPAC Name: N-[4-[3,5-bis(trifluoromethyl)phenoxy]but-2-ynyl]-2-chloro-5-nitrobenzenesulfonamide Traditional Name: N-[4-[3,5-bis(trifluoromethyl)phenoxy]but-2-ynyl]-2-chloro-5-nitro-benzenesulfonamide Formula: C18H11ClF6N2O5S MolecularWeight: 516.798759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC#CCOC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)NCC#CCOC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C18H11ClF6N2O5S/c19-15-4-3-13(27(28)29)10-16(15)33(30,31)26-5-1-2-6-32-14-8-11(17(20,21)22)7-12(9-14)18(23,24)25/h3-4,7-10,26H,5-6H2