4-[4-[[4-(tert-butylsulfonylamino)cyclohexyl]carbonylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-[[4-(tert-butylsulfonylamino)cyclohexyl]carbonylamino]phenyl]butanoic acid Openeye Name: 4-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]butanoic acid CAS Name: 4-[4-[[[4-(tert-butylsulfonylamino)cyclohexyl]-oxomethyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]butanoic acid Traditional Name: 4-[4-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]phenyl]butyric acid Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)NC1CCC(CC1)C(=O)NC2=CC=C(C=C2)CCCC(=O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)NC1CCC(CC1)C(=O)NC2=CC=C(C=C2)CCCC(=O)O

InChI

InChI=1S/C21H32N2O5S/c1-21(2,3)29(27,28)23-18-13-9-16(10-14-18)20(26)22-17-11-7-15(8-12-17)5-4-6-19(24)25/h7-8,11-12,16,18,23H,4-6,9-10,13-14H2,1-3H3,(H,22,26)(H,24,25)