1-phenyl-3-[[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]carbamoyl]pyrazol-4-olate

Systemtic Name: 1-phenyl-3-[[(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylamino]carbamoyl]pyrazol-4-olate Openeye Name: 1-phenyl-3-[[[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]amino]carbamoyl]pyrazol-4-olate CAS Name: 3-[oxo-[[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]hydrazo]methyl]-1-phenyl-4-pyrazololate IUPAC Name: 1-phenyl-3-[[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]carbamoyl]pyrazol-4-olate Traditional Name: 1-phenyl-3-[[[1-(3-pyridylsulfonyl)isonipecotoyl]amino]carbamoyl]pyrazol-4-olate Formula: C21H21N6O5S- MolecularWeight: 469.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NNC(=O)C2=NN(C=C2[O-])C3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NNC(=O)C2=NN(C=C2[O-])C3=CC=CC=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6O5S/c28-18-14-27(16-5-2-1-3-6-16)25-19(18)21(30)24-23-20(29)15-8-11-26(12-9-15)33(31,32)17-7-4-10-22-13-17/h1-7,10,13-15,28H,8-9,11-12H2,(H,23,29)(H,24,30)/p-1