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

Systemtic Name: 5-(3-propan-2-ylsulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(3-isopropylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[oxo-(3-propan-2-ylsulfonylphenyl)methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(3-propan-2-ylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(3-isopropylsulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-11(2)25(23,24)13-5-3-4-12(10-13)17(20)16-7-6-15-14(18(21)22)8-9-19(15)16/h3-7,10-11,14H,8-9H2,1-2H3,(H,21,22)