N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(p-tolylsulfonyl)propanamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3-tosyl-propionamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3S/c1-15-2-8-18(9-3-15)28(26,27)13-11-20(25)23-19-10-12-22-24(19)14-16-4-6-17(21)7-5-16/h2-10,12H,11,13-14H2,1H3,(H,23,25)