5-methyl-2-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-pyrazol-3-olate

Systemtic Name: 5-methyl-2-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonyl-pyrazol-3-olate Openeye Name: 5-methyl-2-phenyl-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyrazol-3-olate CAS Name: 5-methyl-4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-2-phenyl-3-pyrazololate IUPAC Name: 5-methyl-2-phenyl-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)pyrazol-3-olate Traditional Name: 5-methyl-2-phenyl-4-(4-pyrrolidinosulfonylbenzoyl)pyrazol-3-olate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-15-19(21(26)24(22-15)17-7-3-2-4-8-17)20(25)16-9-11-18(12-10-16)29(27,28)23-13-5-6-14-23/h2-4,7-12,26H,5-6,13-14H2,1H3/p-1