2-(carboxycarbonylamino)-5-[(naphthalen-1-ylsulfonylamino)methyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-5-[(naphthalen-1-ylsulfonylamino)methyl]thiophene-3-carboxylic acid Openeye Name: 5-[(1-naphthylsulfonylamino)methyl]-2-(oxaloamino)thiophene-3-carboxylic acid CAS Name: 5-[(1-naphthalenylsulfonylamino)methyl]-2-(oxaloamino)-3-thiophenecarboxylic acid IUPAC Name: 5-[(naphthalen-1-ylsulfonylamino)methyl]-2-(oxaloamino)thiophene-3-carboxylic acid Traditional Name: 5-[(1-naphthylsulfonylamino)methyl]-2-(oxaloamino)-3-thenoic acid Formula: C18H14N2O7S2 MolecularWeight: 434.44296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC(=C(S3)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCC3=CC(=C(S3)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N2O7S2/c21-15(18(24)25)20-16-13(17(22)23)8-11(28-16)9-19-29(26,27)14-7-3-5-10-4-1-2-6-12(10)14/h1-8,19H,9H2,(H,20,21)(H,22,23)(H,24,25)