N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonyl-benzamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonyl-benzamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-2-methyl-5-methylsulfonylbenzamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-5-mesyl-2-methyl-benzamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-13-3-8-16(27(2,25)26)11-17(13)19(24)22-18-9-10-21-23(18)12-14-4-6-15(20)7-5-14/h3-11H,12H2,1-2H3,(H,22,24)