pyridin-2-ylmethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: pyridin-2-ylmethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Openeye Name: 2-pyridylmethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate CAS Name: 3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-pyrrolidinosulfonylphenyl)propionic acid 2-pyridylmethyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C19H22N2O4S/c22-19(25-15-17-5-1-2-12-20-17)11-8-16-6-9-18(10-7-16)26(23,24)21-13-3-4-14-21/h1-2,5-7,9-10,12H,3-4,8,11,13-15H2