(4-cyanophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-cyanophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-cyanophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (4-cyanophenyl) ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H18N2O5S/c1-25-17-9-6-15(12-18(17)27(23,24)21-10-2-3-11-21)19(22)26-16-7-4-14(13-20)5-8-16/h4-9,12H,2-3,10-11H2,1H3