5-bromanyl-2-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[4-(pyrazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C18H18BrN3O3S/c1-25-17-8-7-16(19)11-18(17)26(23,24)21-12-14-3-5-15(6-4-14)13-22-10-2-9-20-22/h2-11,21H,12-13H2,1H3