3-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(cyclohexanecarbonylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c25-20(23-18-8-4-7-16(13-18)22(27)28)14-29-19-11-9-17(10-12-19)24-21(26)15-5-2-1-3-6-15/h4,7-13,15H,1-3,5-6,14H2,(H,23,25)(H,24,26)(H,27,28)