6-methylsulfonyl-5-(4-propan-2-yloxyphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-methylsulfonyl-5-(4-propan-2-yloxyphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-isopropoxybenzoyl)-6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-methylsulfonyl-5-[oxo-(4-propan-2-yloxyphenyl)methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-methylsulfonyl-5-(4-propan-2-yloxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(4-isopropoxybenzoyl)-6-mesyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C19H21NO6S/c1-11(2)26-13-6-4-12(5-7-13)18(21)17-16(27(3,24)25)10-15-14(19(22)23)8-9-20(15)17/h4-7,10-11,14H,8-9H2,1-3H3,(H,22,23)