4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylamino]benzenesulfonamide

Systemtic Name: 4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methylamino]benzenesulfonamide Openeye Name: 4-[(4-allyloxy-3-bromo-5-ethoxy-phenyl)methylamino]benzenesulfonamide CAS Name: 4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]benzenesulfonamide IUPAC Name: 4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylamino]benzenesulfonamide Traditional Name: 4-[(4-allyloxy-3-bromo-5-ethoxy-benzyl)amino]benzenesulfonamide Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O4S/c1-3-9-25-18-16(19)10-13(11-17(18)24-4-2)12-21-14-5-7-15(8-6-14)26(20,22)23/h3,5-8,10-11,21H,1,4,9,12H2,2H3,(H2,20,22,23)