3-pyridin-3-ylpropyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-pyridin-3-ylpropyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 3-(3-pyridyl)propyl 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid 3-(3-pyridyl)propyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCCCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OCCCC3=CN=CC=C3

InChI

InChI=1S/C20H24N2O4S/c1-16-8-9-18(27(24,25)22-11-2-3-12-22)14-19(16)20(23)26-13-5-7-17-6-4-10-21-15-17/h4,6,8-10,14-15H,2-3,5,7,11-13H2,1H3