N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Openeye Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide CAS Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide IUPAC Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide Traditional Name: N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C15H12ClN5O5S MolecularWeight: 409.80428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O5S/c1-26-15-5-3-11(7-14(15)21(22)23)27(24,25)19-12-6-10(16)2-4-13(12)20-9-17-8-18-20/h2-9,19H,1H3