N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxy-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxy-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-2,4-dimethoxybenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-4-yl]-2,4-dimethoxy-benzenesulfonamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H18BrN3O4S/c1-25-16-7-8-18(17(9-16)26-2)27(23,24)21-15-10-20-22(12-15)11-13-3-5-14(19)6-4-13/h3-10,12,21H,11H2,1-2H3