7-chloranyl-5-(2-methoxysulfonylphenyl)carbonyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid

Systemtic Name: 7-chloranyl-5-(2-methoxysulfonylphenyl)carbonyl-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Openeye Name: 7-chloro-5-(2-methoxysulfonylbenzoyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid CAS Name: 7-chloro-5-[(2-methoxysulfonylphenyl)-oxomethyl]-2,3-dihydropyrrolizine-1,1-dicarboxylic acid IUPAC Name: 7-chloro-5-(2-methoxysulfonylbenzoyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Traditional Name: 7-chloro-5-(2-methoxysulfonylbenzoyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid Formula: C17H14ClNO8S MolecularWeight: 427.81296

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)C1=CC=CC=C1C(=O)C2=CC(=C3N2CCC3(C(=O)O)C(=O)O)Cl

Isomeric SMILES

COS(=O)(=O)C1=CC=CC=C1C(=O)C2=CC(=C3N2CCC3(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C17H14ClNO8S/c1-27-28(25,26)12-5-3-2-4-9(12)13(20)11-8-10(18)14-17(15(21)22,16(23)24)6-7-19(11)14/h2-5,8H,6-7H2,1H3,(H,21,22)(H,23,24)