2-[2-[bis(phenylsulfonyl)amino]-5-methoxy-4-phenylmethoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid

Systemtic Name: 2-[2-[bis(phenylsulfonyl)amino]-5-methoxy-4-phenylmethoxy-phenyl]-2-[(4-cyanophenyl)amino]ethanoic acid Openeye Name: 2-[4-benzyloxy-2-[bis(benzenesulfonyl)amino]-5-methoxy-phenyl]-2-(4-cyanoanilino)acetic acid CAS Name: 2-[2-[bis(benzenesulfonyl)amino]-5-methoxy-4-phenylmethoxyphenyl]-2-(4-cyanoanilino)acetic acid IUPAC Name: 2-[2-[bis(benzenesulfonyl)amino]-5-methoxy-4-phenylmethoxyphenyl]-2-(4-cyanoanilino)acetic acid Traditional Name: 2-[4-benzoxy-2-(dibesylamino)-5-methoxy-phenyl]-2-(4-cyanoanilino)acetic acid Formula: C35H29N3O8S2 MolecularWeight: 683.75006

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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)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)N(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H29N3O8S2/c1-45-32-21-30(34(35(39)40)37-27-19-17-25(23-36)18-20-27)31(22-33(32)46-24-26-11-5-2-6-12-26)38(47(41,42)28-13-7-3-8-14-28)48(43,44)29-15-9-4-10-16-29/h2-22,34,37H,24H2,1H3,(H,39,40)