methyl 2-[(5-cyclopropyl-3-phenyl-3,4-dihydropyrazol-2-yl)carbonylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(5-cyclopropyl-3-phenyl-3,4-dihydropyrazol-2-yl)carbonylsulfamoyl]benzoate Openeye Name: methyl 2-[(5-cyclopropyl-3-phenyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate CAS Name: 2-[[(5-cyclopropyl-3-phenyl-3,4-dihydropyrazol-2-yl)-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-cyclopropyl-3-phenyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate Traditional Name: 2-[(3-cyclopropyl-5-phenyl-2-pyrazoline-1-carbonyl)sulfamoyl]benzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(CC(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)N2C(CC(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S/c1-29-20(25)16-9-5-6-10-19(16)30(27,28)23-21(26)24-18(15-7-3-2-4-8-15)13-17(22-24)14-11-12-14/h2-10,14,18H,11-13H2,1H3,(H,23,26)