4-chloranyl-3-(3-cyclohexylsulfanylpropanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(3-cyclohexylsulfanylpropanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3-cyclohexylsulfanylpropanoylamino)benzoic acid CAS Name: 4-chloro-3-[[3-(cyclohexylthio)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-(3-cyclohexylsulfanylpropanoylamino)benzoic acid Traditional Name: 4-chloro-3-[3-(cyclohexylthio)propanoylamino]benzoic acid Formula: C16H20ClNO3S MolecularWeight: 341.8529

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)SCCC(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C16H20ClNO3S/c17-13-7-6-11(16(20)21)10-14(13)18-15(19)8-9-22-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19)(H,20,21)