methyl 3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-4-piperidin-1-yl-benzoate

Systemtic Name: methyl 3-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-4-piperidin-1-yl-benzoate Openeye Name: methyl 3-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-4-(1-piperidyl)benzoate CAS Name: 3-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-4-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-piperidin-1-ylbenzoate Traditional Name: 3-[[2-chloro-5-(methylthio)benzoyl]amino]-4-piperidino-benzoic acid methyl ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCCC2)NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-27-21(26)14-6-9-19(24-10-4-3-5-11-24)18(12-14)23-20(25)16-13-15(28-2)7-8-17(16)22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,25)