2-[[4-[4-(2-sulfoethylamino)phenyl]sulfonylphenyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[4-[4-(2-sulfoethylamino)phenyl]sulfonylphenyl]amino]ethanesulfonic acid Openeye Name: 2-[4-[4-(2-sulfoethylamino)phenyl]sulfonylanilino]ethanesulfonic acid CAS Name: 2-[4-[4-(2-sulfoethylamino)phenyl]sulfonylanilino]ethanesulfonic acid IUPAC Name: 2-[4-[4-(2-sulfoethylamino)phenyl]sulfonylanilino]ethanesulfonic acid Traditional Name: 2-[4-[4-(2-sulfoethylamino)phenyl]sulfonylanilino]ethanesulfonic acid Formula: C16H20N2O8S3 MolecularWeight: 464.5336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCS(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)NCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCCS(=O)(=O)O)S(=O)(=O)C2=CC=C(C=C2)NCCS(=O)(=O)O

InChI

InChI=1S/C16H20N2O8S3/c19-27(20,21)11-9-17-13-1-5-15(6-2-13)29(25,26)16-7-3-14(4-8-16)18-10-12-28(22,23)24/h1-8,17-18H,9-12H2,(H,19,20,21)(H,22,23,24)