[5-(4-chlorophenyl)sulfonyl-2-nitro-phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [5-(4-chlorophenyl)sulfonyl-2-nitro-phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [5-(4-chlorophenyl)sulfonyl-2-nitro-phenyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [5-(4-chlorophenyl)sulfonyl-2-nitrophenyl] ester IUPAC Name: [5-(4-chlorophenyl)sulfonyl-2-nitrophenyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [5-(4-chlorophenyl)sulfonyl-2-nitro-phenyl] ester Formula: C22H15ClN4O6S MolecularWeight: 498.8957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC2=C(C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)OC2=C(C=CC(=C2)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H15ClN4O6S/c1-14-21(25-26(24-14)16-5-3-2-4-6-16)22(28)33-20-13-18(11-12-19(20)27(29)30)34(31,32)17-9-7-15(23)8-10-17/h2-13H,1H3