[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 5-methylpyrazine-2-carboxylate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CN=C(C=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CN=C(C=N3)C)C

InChI

InChI=1S/C21H21N3O4S/c1-14-5-10-19(11-15(14)2)29(26,27)24(4)17-6-8-18(9-7-17)28-21(25)20-13-22-16(3)12-23-20/h5-13H,1-4H3