4-[5-azanyl-4-(3-pyridin-3-ylphenyl)carbonyl-pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-azanyl-4-(3-pyridin-3-ylphenyl)carbonyl-pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-amino-4-[3-(3-pyridyl)benzoyl]pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-amino-4-[oxo-[3-(3-pyridinyl)phenyl]methyl]-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-amino-4-(3-pyridin-3-ylbenzoyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-amino-4-[3-(3-pyridyl)benzoyl]pyrazol-1-yl]benzenesulfonamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)S(=O)(=O)N)N)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)S(=O)(=O)N)N)C4=CN=CC=C4

InChI

InChI=1S/C21H17N5O3S/c22-21-19(13-25-26(21)17-6-8-18(9-7-17)30(23,28)29)20(27)15-4-1-3-14(11-15)16-5-2-10-24-12-16/h1-13H,22H2,(H2,23,28,29)