sodium [(4-cyanophenyl)carbamoylamino]methanesulfonate

Systemtic Name: sodium [(4-cyanophenyl)carbamoylamino]methanesulfonate Openeye Name: sodium [(4-cyanophenyl)carbamoylamino]methanesulfonate CAS Name: sodium [[(4-cyanoanilino)-oxomethyl]amino]methanesulfonate IUPAC Name: sodium [(4-cyanophenyl)carbamoylamino]methanesulfonate Traditional Name: sodium [(4-cyanophenyl)carbamoylamino]methanesulfonate Formula: C9H8N3NaO4S MolecularWeight: 277.23229

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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);/q;+1/p-1