(3-cyanophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (3-cyanophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (3-cyanobenzyl) ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H18N2O4S/c20-13-15-4-3-5-16(12-15)14-25-19(22)17-6-8-18(9-7-17)26(23,24)21-10-1-2-11-21/h3-9,12H,1-2,10-11,14H2