N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-ethoxy-benzenesulfonamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-ethoxy-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-4-yl]-4-ethoxy-benzenesulfonamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-2-25-17-7-9-18(10-8-17)26(23,24)21-16-11-20-22(13-16)12-14-3-5-15(19)6-4-14/h3-11,13,21H,2,12H2,1H3