6,7-bis(chloranyl)-5-(3-methoxysulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6,7-bis(chloranyl)-5-(3-methoxysulfonylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6,7-dichloro-5-(3-methoxysulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6,7-dichloro-5-[(3-methoxysulfonylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6,7-dichloro-5-(3-methoxysulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6,7-dichloro-5-(3-methoxysulfonylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C16H13Cl2NO6S MolecularWeight: 418.24852

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C(C(=C3N2CCC3C(=O)O)Cl)Cl

Isomeric SMILES

COS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=C(C(=C3N2CCC3C(=O)O)Cl)Cl

InChI

InChI=1S/C16H13Cl2NO6S/c1-25-26(23,24)9-4-2-3-8(7-9)15(20)14-12(18)11(17)13-10(16(21)22)5-6-19(13)14/h2-4,7,10H,5-6H2,1H3,(H,21,22)