sodium 3-(phenylsulfonylamino)propane-1-sulfonate

Systemtic Name: sodium 3-(phenylsulfonylamino)propane-1-sulfonate Openeye Name: sodium 3-(benzenesulfonamido)propane-1-sulfonate CAS Name: sodium 3-(benzenesulfonamido)-1-propanesulfonate IUPAC Name: sodium 3-(benzenesulfonamido)propane-1-sulfonate Traditional Name: sodium 3-(benzenesulfonamido)propane-1-sulfonate Formula: C9H12NNaO5S2 MolecularWeight: 301.31505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H13NO5S2.Na/c11-16(12,13)8-4-7-10-17(14,15)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,11,12,13);/q;+1/p-1