2-azanyl-N-[4-[4-[(2-azanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonylamino]phenyl]sulfonylphenyl]-5-methoxy-4-phenylmethoxy-benzamide

Systemtic Name: 2-azanyl-N-[4-[4-[(2-azanyl-5-methoxy-4-phenylmethoxy-phenyl)carbonylamino]phenyl]sulfonylphenyl]-5-methoxy-4-phenylmethoxy-benzamide Openeye Name: 2-amino-N-[4-[4-[(2-amino-4-benzyloxy-5-methoxy-benzoyl)amino]phenyl]sulfonylphenyl]-4-benzyloxy-5-methoxy-benzamide CAS Name: 2-amino-N-[4-[4-[[(2-amino-5-methoxy-4-phenylmethoxyphenyl)-oxomethyl]amino]phenyl]sulfonylphenyl]-5-methoxy-4-phenylmethoxybenzamide IUPAC Name: 2-amino-N-[4-[4-[(2-amino-5-methoxy-4-phenylmethoxybenzoyl)amino]phenyl]sulfonylphenyl]-5-methoxy-4-phenylmethoxybenzamide Traditional Name: 2-amino-N-[4-[4-[(2-amino-4-benzoxy-5-methoxy-benzoyl)amino]phenyl]sulfonylphenyl]-4-benzoxy-5-methoxy-benzamide Formula: C42H38N4O8S MolecularWeight: 758.83812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4N)OCC5=CC=CC=C5)OC)N)OCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4N)OCC5=CC=CC=C5)OC)N)OCC6=CC=CC=C6

InChI

InChI=1S/C42H38N4O8S/c1-51-37-21-33(35(43)23-39(37)53-25-27-9-5-3-6-10-27)41(47)45-29-13-17-31(18-14-29)55(49,50)32-19-15-30(16-20-32)46-42(48)34-22-38(52-2)40(24-36(34)44)54-26-28-11-7-4-8-12-28/h3-24H,25-26,43-44H2,1-2H3,(H,45,47)(H,46,48)