[4-(cyanomethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(cyanomethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [4-(cyanomethyl)phenyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)CC#N

InChI

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