4-methoxy-2-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methoxy-2-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Openeye Name: 4-methoxy-2-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide CAS Name: 4-methoxy-2-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-2-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Traditional Name: 4-methoxy-2-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzenesulfonamide Formula: C16H12F3N5O5S MolecularWeight: 443.35719

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N5O5S/c1-29-11-3-5-15(14(7-11)24(25)26)30(27,28)22-12-6-10(16(17,18)19)2-4-13(12)23-9-20-8-21-23/h2-9,22H,1H3