N-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxy-benzenesulfonamide Openeye Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxy-benzenesulfonamide CAS Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-2,4-dimethoxybenzenesulfonamide IUPAC Name: N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzenesulfonamide Traditional Name: N-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-2,4-dimethoxy-benzenesulfonamide Formula: C18H17BrClN3O4S MolecularWeight: 486.76728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C18H17BrClN3O4S/c1-26-14-7-8-17(16(9-14)27-2)28(24,25)22-18-15(19)11-23(21-18)10-12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3,(H,21,22)