4-(2-cyanophenyl)azanidylsulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: 4-(2-cyanophenyl)azanidylsulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: 4-(2-cyanophenyl)azanidylsulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-(2-cyanophenyl)azanidylsulfonyl-1-methyl-2-pyrrolecarboxylate IUPAC Name: 4-(2-cyanophenyl)azanidylsulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-(2-cyanophenyl)azanidylsulfonyl-1-methyl-pyrrole-2-carboxylate Formula: C13H9N3O4S-2 MolecularWeight: 303.29326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)[N-]C2=CC=CC=C2C#N

Isomeric SMILES

CN1C=C(C=C1C(=O)[O-])S(=O)(=O)[N-]C2=CC=CC=C2C#N

InChI

InChI=1S/C13H11N3O4S/c1-16-8-10(6-12(16)13(17)18)21(19,20)15-11-5-3-2-4-9(11)7-14/h2-6,8,14H,1H3,(H,17,18)/p-2