5-(3-butylsulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(3-butylsulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(3-butylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(3-butylsulfonylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(3-butylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(3-butylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)O

InChI

InChI=1S/C19H21NO5S/c1-2-3-11-26(24,25)14-6-4-5-13(12-14)18(21)17-8-7-16-15(19(22)23)9-10-20(16)17/h4-8,12,15H,2-3,9-11H2,1H3,(H,22,23)