sodium 4-(pyrrolidin-1-ylcarbamoylamino)benzenesulfonate

Systemtic Name: sodium 4-(pyrrolidin-1-ylcarbamoylamino)benzenesulfonate Openeye Name: sodium 4-(pyrrolidin-1-ylcarbamoylamino)benzenesulfonate CAS Name: sodium 4-[[oxo-(1-pyrrolidinylamino)methyl]amino]benzenesulfonate IUPAC Name: sodium 4-(pyrrolidin-1-ylcarbamoylamino)benzenesulfonate Traditional Name: sodium 4-(pyrrolidinocarbamoylamino)besylate Formula: C11H14N3NaO4S MolecularWeight: 307.30133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CCN(C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H15N3O4S.Na/c15-11(13-14-7-1-2-8-14)12-9-3-5-10(6-4-9)19(16,17)18;/h3-6H,1-2,7-8H2,(H2,12,13,15)(H,16,17,18);/q;+1/p-1