3-(1-adamantylcarbamoylamino)propane-1-sulfonic acid

Systemtic Name: 3-(1-adamantylcarbamoylamino)propane-1-sulfonic acid Openeye Name: 3-(1-adamantylcarbamoylamino)propane-1-sulfonic acid CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-(1-adamantylcarbamoylamino)propane-1-sulfonic acid Traditional Name: 3-(1-adamantylcarbamoylamino)propane-1-sulfonic acid Formula: C14H24N2O4S MolecularWeight: 316.41636

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C14H24N2O4S/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)