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

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 5-bromo-2-ethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 5-bromo-2-ethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 5-bromo-2-ethoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 5-bromo-2-ethoxy-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]benzenesulfonamide Formula: C18H19BrN4O3S MolecularWeight: 451.33746

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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=NC=N3

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN4O3S/c1-2-26-17-8-7-16(19)9-18(17)27(24,25)22-10-14-3-5-15(6-4-14)11-23-13-20-12-21-23/h3-9,12-13,22H,2,10-11H2,1H3