1-butyl-3-[4-(3,5-dimethylpyrazol-1-yl)carbonylphenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-(3,5-dimethylpyrazol-1-yl)carbonylphenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonyl-urea Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C)C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C)C

InChI

InChI=1S/C17H22N4O4S/c1-4-5-10-18-17(23)20-26(24,25)15-8-6-14(7-9-15)16(22)21-13(3)11-12(2)19-21/h6-9,11H,4-5,10H2,1-3H3,(H2,18,20,23)