sodium 3-(1-adamantylcarbamoylamino)propane-1-sulfonate

Systemtic Name: sodium 3-(1-adamantylcarbamoylamino)propane-1-sulfonate Openeye Name: sodium 3-(1-adamantylcarbamoylamino)propane-1-sulfonate CAS Name: sodium 3-[[(1-adamantylamino)-oxomethyl]amino]-1-propanesulfonate IUPAC Name: sodium 3-(1-adamantylcarbamoylamino)propane-1-sulfonate Traditional Name: sodium 3-(1-adamantylcarbamoylamino)propane-1-sulfonate Formula: C14H23N2NaO4S MolecularWeight: 338.39819

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H24N2O4S.Na/c17-13(15-2-1-3-21(18,19)20)16-14-7-10-4-11(8-14)6-12(5-10)9-14;/h10-12H,1-9H2,(H2,15,16,17)(H,18,19,20);/q;+1/p-1