(2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2R)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2R)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(p-tolylthio)propionamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-15-6-8-17(9-7-15)28-16(2)21(25)23-20-14-18(10-11-19(20)22)29(26,27)24-12-4-3-5-13-24/h6-11,14,16H,3-5,12-13H2,1-2H3,(H,23,25)/t16-/m1/s1