[4-(4-cyanophenyl)phenyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H22N2O5S/c1-31-23-13-10-21(16-24(23)33(29,30)27-14-2-3-15-27)25(28)32-22-11-8-20(9-12-22)19-6-4-18(17-26)5-7-19/h4-13,16H,2-3,14-15H2,1H3