4-[[5-ethoxy-2-(methylsulfonylamino)-4-phenylmethoxy-phenyl]-[2-(propylsulfonylamino)ethyl]amino]benzenecarboximidamide

Systemtic Name: 4-[[5-ethoxy-2-(methylsulfonylamino)-4-phenylmethoxy-phenyl]-[2-(propylsulfonylamino)ethyl]amino]benzenecarboximidamide Openeye Name: 4-[4-benzyloxy-5-ethoxy-2-(methanesulfonamido)-N-[2-(propylsulfonylamino)ethyl]anilino]benzamidine CAS Name: 4-[5-ethoxy-2-(methanesulfonamido)-4-phenylmethoxy-N-[2-(propylsulfonylamino)ethyl]anilino]benzenecarboximidamide IUPAC Name: 4-[5-ethoxy-2-(methanesulfonamido)-4-phenylmethoxy-N-[2-(propylsulfonylamino)ethyl]anilino]benzenecarboximidamide Traditional Name: 4-[4-benzoxy-5-ethoxy-2-(methanesulfonamido)-N-[2-(propylsulfonylamino)ethyl]anilino]benzamidine Formula: C28H37N5O6S2 MolecularWeight: 603.75328

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCCN(C1=CC=C(C=C1)C(=N)N)C2=CC(=C(C=C2NS(=O)(=O)C)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCCS(=O)(=O)NCCN(C1=CC=C(C=C1)C(=N)N)C2=CC(=C(C=C2NS(=O)(=O)C)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C28H37N5O6S2/c1-4-17-41(36,37)31-15-16-33(23-13-11-22(12-14-23)28(29)30)25-19-27(38-5-2)26(18-24(25)32-40(3,34)35)39-20-21-9-7-6-8-10-21/h6-14,18-19,31-32H,4-5,15-17,20H2,1-3H3,(H3,29,30)