3-pyridin-3-ylpropyl 1-(phenylmethyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: 3-pyridin-3-ylpropyl 1-(phenylmethyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: 3-(3-pyridyl)propyl 1-benzylsulfonylpyrrolidine-2-carboxylate CAS Name: 1-(phenylmethyl)sulfonyl-2-pyrrolidinecarboxylic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 1-benzylsulfonylpyrrolidine-2-carboxylate Traditional Name: 1-benzylsulfonylpyrrolidine-2-carboxylic acid 3-(3-pyridyl)propyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C20H24N2O4S/c23-20(26-14-6-10-17-9-4-12-21-15-17)19-11-5-13-22(19)27(24,25)16-18-7-2-1-3-8-18/h1-4,7-9,12,15,19H,5-6,10-11,13-14,16H2