4-methoxy-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-nitro-benzenesulfonamide Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5S/c1-20-10-17-18-16(20)11-3-5-12(6-4-11)19-27(24,25)15-8-7-13(26-2)9-14(15)21(22)23/h3-10,19H,1-2H3