methyl 1-[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylate Openeye Name: methyl 4-benzyloxy-1-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonyl-pyrrolidine-2-carboxylate CAS Name: 1-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-4-phenylmethoxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-4-phenylmethoxypyrrolidine-2-carboxylate Traditional Name: 4-benzoxy-1-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C26H23ClN2O6S MolecularWeight: 526.98862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23ClN2O6S/c1-33-26(30)24-14-20(34-17-18-6-3-2-4-7-18)16-29(24)36(31,32)21-12-10-19(11-13-21)35-25-9-5-8-23(27)22(25)15-28/h2-13,20,24H,14,16-17H2,1H3