4-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]benzenesulfonamide

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylamino]benzenesulfonamide Openeye Name: 4-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylamino]benzenesulfonamide CAS Name: 4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzenesulfonamide IUPAC Name: 4-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylamino]benzenesulfonamide Traditional Name: 4-[(4-benzoxy-3-bromo-5-ethoxy-benzyl)amino]benzenesulfonamide Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)N)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN2O4S/c1-2-28-21-13-17(14-25-18-8-10-19(11-9-18)30(24,26)27)12-20(23)22(21)29-15-16-6-4-3-5-7-16/h3-13,25H,2,14-15H2,1H3,(H2,24,26,27)