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

Systemtic Name: 3-pyridin-3-ylpropyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 3-(3-pyridyl)propyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 3-(3-pyridyl)propyl ester Formula: C19H22N2O4S MolecularWeight: 374.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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