3-pyridin-4-ylpropyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 3-pyridin-4-ylpropyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 3-(4-pyridyl)propyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid 3-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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