3-(carboxymethylsulfonylamino)-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(carboxymethylsulfonylamino)-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(carboxymethylsulfonylamino)-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(carboxymethylsulfonylamino)-1-[(3,4-dichlorophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(carboxymethylsulfonylamino)-1-[(3,4-dichlorophenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(carboxymethylsulfonylamino)-1-(3,4-dichlorobenzyl)indole-2-carboxylic acid Formula: C18H14Cl2N2O6S MolecularWeight: 457.28456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NS(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC(=C(C=C3)Cl)Cl)C(=O)O)NS(=O)(=O)CC(=O)O

InChI

InChI=1S/C18H14Cl2N2O6S/c19-12-6-5-10(7-13(12)20)8-22-14-4-2-1-3-11(14)16(17(22)18(25)26)21-29(27,28)9-15(23)24/h1-7,21H,8-9H2,(H,23,24)(H,25,26)