3-pyridin-3-ylpropyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 3-pyridin-3-ylpropyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 3-(3-pyridyl)propyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid 3-(3-pyridyl)propyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C19H22N2O4S/c22-19(25-13-5-7-16-6-4-10-20-15-16)17-8-3-9-18(14-17)26(23,24)21-11-1-2-12-21/h3-4,6,8-10,14-15H,1-2,5,7,11-13H2