sodium 4-(butan-2-yloxycarbonylamino)benzenesulfonate

Systemtic Name: sodium 4-(butan-2-yloxycarbonylamino)benzenesulfonate Openeye Name: sodium 4-(sec-butoxycarbonylamino)benzenesulfonate CAS Name: sodium 4-[[butan-2-yloxy(oxo)methyl]amino]benzenesulfonate IUPAC Name: sodium 4-(butan-2-yloxycarbonylamino)benzenesulfonate Traditional Name: sodium 4-(sec-butoxycarbonylamino)besylate Formula: C11H14NNaO5S MolecularWeight: 295.28733

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(C)OC(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H15NO5S.Na/c1-3-8(2)17-11(13)12-9-4-6-10(7-5-9)18(14,15)16;/h4-8H,3H2,1-2H3,(H,12,13)(H,14,15,16);/q;+1/p-1