1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)carbonylphenyl]sulfonyl-3-(phenylmethyl)urea

Systemtic Name: 1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)carbonylphenyl]sulfonyl-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[4-(4-bromo-3,5-dimethyl-pyrazole-1-carbonyl)phenyl]sulfonyl-urea CAS Name: 1-[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)-oxomethyl]phenyl]sulfonyl-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[4-(4-bromo-3,5-dimethylpyrazole-1-carbonyl)phenyl]sulfonylurea Traditional Name: 1-benzyl-3-[4-(4-bromo-3,5-dimethyl-pyrazole-1-carbonyl)phenyl]sulfonyl-urea Formula: C20H19BrN4O4S MolecularWeight: 491.35826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NC(=O)NCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NC(=O)NCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C20H19BrN4O4S/c1-13-18(21)14(2)25(23-13)19(26)16-8-10-17(11-9-16)30(28,29)24-20(27)22-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,22,24,27)