4-[[3-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[3-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[3-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[3-[[(1-adamantylamino)-oxomethyl]amino]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[3-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[3-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butyric acid Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC(=CC=C4)S(=O)(=O)NCCCC(=O)O

InChI

InChI=1S/C21H29N3O5S/c25-19(26)5-2-6-22-30(28,29)18-4-1-3-17(10-18)23-20(27)24-21-11-14-7-15(12-21)9-16(8-14)13-21/h1,3-4,10,14-16,22H,2,5-9,11-13H2,(H,25,26)(H2,23,24,27)