4-[[1-[5-ethoxy-4-phenylmethoxy-2-(phenylsulfonylamino)phenyl]-2-(phenylsulfonylamino)ethyl]amino]benzenecarboximidamide

Systemtic Name: 4-[[1-[5-ethoxy-4-phenylmethoxy-2-(phenylsulfonylamino)phenyl]-2-(phenylsulfonylamino)ethyl]amino]benzenecarboximidamide Openeye Name: 4-[[2-(benzenesulfonamido)-1-[2-(benzenesulfonamido)-4-benzyloxy-5-ethoxy-phenyl]ethyl]amino]benzamidine CAS Name: 4-[[2-(benzenesulfonamido)-1-[2-(benzenesulfonamido)-5-ethoxy-4-phenylmethoxyphenyl]ethyl]amino]benzenecarboximidamide IUPAC Name: 4-[[2-(benzenesulfonamido)-1-[2-(benzenesulfonamido)-5-ethoxy-4-phenylmethoxyphenyl]ethyl]amino]benzenecarboximidamide Traditional Name: 4-[[2-(benzenesulfonamido)-1-[2-(benzenesulfonamido)-4-benzoxy-5-ethoxy-phenyl]ethyl]amino]benzamidine Formula: C36H37N5O6S2 MolecularWeight: 699.83888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(CNS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(CNS(=O)(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N)NS(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C36H37N5O6S2/c1-2-46-34-22-31(32(41-49(44,45)30-16-10-5-11-17-30)23-35(34)47-25-26-12-6-3-7-13-26)33(40-28-20-18-27(19-21-28)36(37)38)24-39-48(42,43)29-14-8-4-9-15-29/h3-23,33,39-41H,2,24-25H2,1H3,(H3,37,38)