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

Systemtic Name: [2-[bis(methylsulfonyl)amino]-5-methoxy-4-phenylmethoxy-phenyl] 2-[(4-cyanophenyl)amino]ethanoate Openeye Name: [4-benzyloxy-2-[bis(methylsulfonyl)amino]-5-methoxy-phenyl] 2-(4-cyanoanilino)acetate CAS Name: 2-(4-cyanoanilino)acetic acid [2-[bis(methylsulfonyl)amino]-5-methoxy-4-phenylmethoxyphenyl] ester IUPAC Name: [2-[bis(methylsulfonyl)amino]-5-methoxy-4-phenylmethoxyphenyl] 2-(4-cyanoanilino)acetate Traditional Name: 2-(4-cyanoanilino)acetic acid [4-benzoxy-2-(dimesylamino)-5-methoxy-phenyl] ester Formula: C25H25N3O8S2 MolecularWeight: 559.6113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)OC(=O)CNC2=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)OC(=O)CNC2=CC=C(C=C2)C#N)N(S(=O)(=O)C)S(=O)(=O)C)OCC3=CC=CC=C3

InChI

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