[(4-cyanophenyl)carbamoylamino]methanesulfonic acid; sodium

Systemtic Name: [(4-cyanophenyl)carbamoylamino]methanesulfonic acid; sodium Openeye Name: [(4-cyanophenyl)carbamoylamino]methanesulfonic acid; sodium CAS Name: [[(4-cyanoanilino)-oxomethyl]amino]methanesulfonic acid; sodium IUPAC Name: [(4-cyanophenyl)carbamoylamino]methanesulfonic acid; sodium Traditional Name: [(4-cyanophenyl)carbamoylamino]methanesulfonic acid; sodium Formula: C9H9N3NaO4S MolecularWeight: 278.24023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)NCS(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)NCS(=O)(=O)O.[Na]

InChI

InChI=1S/C9H9N3O4S.Na/c10-5-7-1-3-8(4-2-7)12-9(13)11-6-17(14,15)16;/h1-4H,6H2,(H2,11,12,13)(H,14,15,16);