[4-(2-cyanophenyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [4-(2-cyanophenyl)benzyl] ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C26H24N2O5S/c1-32-24-13-12-21(16-25(24)34(30,31)28-14-4-5-15-28)26(29)33-18-19-8-10-20(11-9-19)23-7-3-2-6-22(23)17-27/h2-3,6-13,16H,4-5,14-15,18H2,1H3