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

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 5-bromo-2-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 5-bromo-2-ethoxy-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 5-bromo-2-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 5-bromo-2-ethoxy-N-[4-(pyrazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C19H20BrN3O3S/c1-2-26-18-9-8-17(20)12-19(18)27(24,25)22-13-15-4-6-16(7-5-15)14-23-11-3-10-21-23/h3-12,22H,2,13-14H2,1H3