sodium 2,5-bis(ethylcarbamoyl)benzenesulfonate

Systemtic Name: sodium 2,5-bis(ethylcarbamoyl)benzenesulfonate Openeye Name: sodium 2,5-bis(ethylcarbamoyl)benzenesulfonate CAS Name: sodium 2,5-bis(ethylcarbamoyl)benzenesulfonate IUPAC Name: sodium 2,5-bis(ethylcarbamoyl)benzenesulfonate Traditional Name: sodium 2,5-bis(ethylcarbamoyl)besylate Formula: C12H15N2NaO5S MolecularWeight: 322.31267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5S.Na/c1-3-13-11(15)8-5-6-9(12(16)14-4-2)10(7-8)20(17,18)19;/h5-7H,3-4H2,1-2H3,(H,13,15)(H,14,16)(H,17,18,19);/q;+1/p-1