2-sulfanyl-4-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid

Systemtic Name: 2-sulfanyl-4-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid Openeye Name: 2-sulfanyl-4-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid CAS Name: 2-mercapto-4-[[oxo-(2-sulfoanilino)methyl]amino]benzenesulfonic acid IUPAC Name: 2-sulfanyl-4-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid Traditional Name: 2-mercapto-4-[(2-sulfophenyl)carbamoylamino]besylic acid Formula: C13H12N2O7S3 MolecularWeight: 404.43858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)S)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)S(=O)(=O)O)S)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O7S3/c16-13(15-9-3-1-2-4-11(9)24(17,18)19)14-8-5-6-12(10(23)7-8)25(20,21)22/h1-7,23H,(H2,14,15,16)(H,17,18,19)(H,20,21,22)