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

Systemtic Name: 2,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-5-nitro-benzenesulfonamide Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c1-11-8-15(22(23)24)9-16(12(11)2)27(25,26)20-14-6-4-13(5-7-14)17-19-18-10-21(17)3/h4-10,20H,1-3H3