3-pyridin-3-ylpropyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-pyridin-3-ylpropyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3-(3-pyridyl)propyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid 3-(3-pyridyl)propyl ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4S/c20-17-8-7-16(13-18(17)27(24,25)22-10-1-2-11-22)19(23)26-12-4-6-15-5-3-9-21-14-15/h3,5,7-9,13-14H,1-2,4,6,10-12H2