[phenyl-[2-[phenyl(sulfomethyl)amino]ethyl]amino]methanesulfonic acid

Systemtic Name: [phenyl-[2-[phenyl(sulfomethyl)amino]ethyl]amino]methanesulfonic acid Openeye Name: [N-[2-[N-(sulfomethyl)anilino]ethyl]anilino]methanesulfonic acid CAS Name: [N-[2-[N-(sulfomethyl)anilino]ethyl]anilino]methanesulfonic acid IUPAC Name: [N-[2-[N-(sulfomethyl)anilino]ethyl]anilino]methanesulfonic acid Traditional Name: [N-[2-[N-(sulfomethyl)anilino]ethyl]anilino]methanesulfonic acid Formula: C16H20N2O6S2 MolecularWeight: 400.4698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCN(CS(=O)(=O)O)C2=CC=CC=C2)CS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCN(CS(=O)(=O)O)C2=CC=CC=C2)CS(=O)(=O)O

InChI

InChI=1S/C16H20N2O6S2/c19-25(20,21)13-17(15-7-3-1-4-8-15)11-12-18(14-26(22,23)24)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,20,21)(H,22,23,24)