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

Systemtic Name: 4-chloranyl-3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4S/c23-18-10-9-15(22(28)29)11-19(18)25-20(26)13-30-17-8-4-7-16(12-17)24-21(27)14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6,13H2,(H,24,27)(H,25,26)(H,28,29)