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

Systemtic Name: 4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]benzenesulfonamide Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4S/c1-9-2-4-10(5-3-9)21(19,20)13-6-7-15-8-12-11(14-15)16(17)18/h2-5,8,13H,6-7H2,1H3