4-methyl-3-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonyl-benzoate

Systemtic Name: 4-methyl-3-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonyl-benzoate Openeye Name: 4-methyl-3-[(6-pyrazol-1-yl-3-pyridyl)azanidylsulfonyl]benzoate CAS Name: 4-methyl-3-[[6-(1-pyrazolyl)-3-pyridinyl]azanidylsulfonyl]benzoate IUPAC Name: 4-methyl-3-(6-pyrazol-1-ylpyridin-3-yl)azanidylsulfonylbenzoate Traditional Name: 4-methyl-3-[(6-pyrazol-1-yl-3-pyridyl)azanidylsulfonyl]benzoate Formula: C16H12N4O4S-2 MolecularWeight: 356.35588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H13N4O4S/c1-11-3-4-12(16(21)22)9-14(11)25(23,24)19-13-5-6-15(17-10-13)20-8-2-7-18-20/h2-10H,1H3,(H,21,22)/q-1/p-1