4-[2-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylamino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylamino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amino]ethyl]benzenesulfonamide Formula: C22H24BrN3O4S MolecularWeight: 506.41266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)CNCCC2=CC=C(C=C2)S(=O)(=O)N)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C22H24BrN3O4S/c1-29-21-12-18(11-20(23)22(21)30-15-17-3-2-9-25-13-17)14-26-10-8-16-4-6-19(7-5-16)31(24,27)28/h2-7,9,11-13,26H,8,10,14-15H2,1H3,(H2,24,27,28)