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

Systemtic Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-ethoxy-benzenesulfonamide CAS Name: N-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzenesulfonamide Traditional Name: N-[1-(4-bromobenzyl)pyrazol-3-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=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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