2-methyl-5-nitro-4-(phenylsulfonylmethyl)benzotriazole

Systemtic Name: 2-methyl-5-nitro-4-(phenylsulfonylmethyl)benzotriazole Openeye Name: 4-(benzenesulfonylmethyl)-2-methyl-5-nitro-benzotriazole CAS Name: 4-(benzenesulfonylmethyl)-2-methyl-5-nitrobenzotriazole IUPAC Name: 4-(benzenesulfonylmethyl)-2-methyl-5-nitrobenzotriazole Traditional Name: 4-(besylmethyl)-2-methyl-5-nitro-benzotriazole Formula: C14H12N4O4S MolecularWeight: 332.33448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1N=C2C=CC(=C(C2=N1)CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1N=C2C=CC(=C(C2=N1)CS(=O)(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4S/c1-17-15-12-7-8-13(18(19)20)11(14(12)16-17)9-23(21,22)10-5-3-2-4-6-10/h2-8H,9H2,1H3