5-bromanyl-2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Openeye Name: 5-bromo-2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide CAS Name: 5-bromo-2-ethoxy-N-[(1-phenyl-4-pyrazolyl)methyl]benzenesulfonamide IUPAC Name: 5-bromo-2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Traditional Name: 5-bromo-2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

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