N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-yl]-3,4-dimethoxy-benzenesulfonamide Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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