2-[2-[bis(methylsulfonyl)amino]-5-methoxy-4-phenylmethoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoate

Systemtic Name: 2-[2-[bis(methylsulfonyl)amino]-5-methoxy-4-phenylmethoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoate Openeye Name: 2-[4-benzyloxy-2-[bis(methylsulfonyl)amino]-5-methoxy-phenyl]-2-(4-cyanoanilino)acetate CAS Name: 2-[2-[bis(methylsulfonyl)amino]-5-methoxy-4-phenylmethoxyphenyl]-2-(4-cyanoanilino)acetate IUPAC Name: 2-[2-[bis(methylsulfonyl)amino]-5-methoxy-4-phenylmethoxyphenyl]-2-(4-cyanoanilino)acetate Traditional Name: 2-[4-benzoxy-2-(dimesylamino)-5-methoxy-phenyl]-2-(4-cyanoanilino)acetate Formula: C25H24N3O8S2- MolecularWeight: 558.60336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)N(S(=O)(=O)C)S(=O)(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)N(S(=O)(=O)C)S(=O)(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O8S2/c1-35-22-13-20(24(25(29)30)27-19-11-9-17(15-26)10-12-19)21(28(37(2,31)32)38(3,33)34)14-23(22)36-16-18-7-5-4-6-8-18/h4-14,24,27H,16H2,1-3H3,(H,29,30)/p-1