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

Systemtic Name: 4-[[4-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-(1-adamantylcarbamoylamino)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-(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=C(C=C4)S(=O)(=O)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c25-19(26)2-1-7-22-30(28,29)18-5-3-17(4-6-18)23-20(27)24-21-11-14-8-15(12-21)10-16(9-14)13-21/h3-6,14-16,22H,1-2,7-13H2,(H,25,26)(H2,23,24,27)