3-[2-[[4-(tert-butylsulfonylamino)cyclohexyl]carbonylamino]ethyl-ethyl-amino]benzoic acid

Systemtic Name: 3-[2-[[4-(tert-butylsulfonylamino)cyclohexyl]carbonylamino]ethyl-ethyl-amino]benzoic acid Openeye Name: 3-[2-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]ethyl-ethyl-amino]benzoic acid CAS Name: 3-[2-[[[4-(tert-butylsulfonylamino)cyclohexyl]-oxomethyl]amino]ethyl-ethylamino]benzoic acid IUPAC Name: 3-[2-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]ethyl-ethylamino]benzoic acid Traditional Name: 3-[2-[[4-(tert-butylsulfonylamino)cyclohexanecarbonyl]amino]ethyl-ethyl-amino]benzoic acid Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)C1CCC(CC1)NS(=O)(=O)C(C)(C)C)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCN(CCNC(=O)C1CCC(CC1)NS(=O)(=O)C(C)(C)C)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H35N3O5S/c1-5-25(19-8-6-7-17(15-19)21(27)28)14-13-23-20(26)16-9-11-18(12-10-16)24-31(29,30)22(2,3)4/h6-8,15-16,18,24H,5,9-14H2,1-4H3,(H,23,26)(H,27,28)