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

Systemtic Name: (3-cyanophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-cyanophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (3-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=CC(=C2)C#N)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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