(2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: (2R)-2-benzylsulfanyl-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(phenylmethylthio)propanamide IUPAC Name: (2R)-2-benzylsulfanyl-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(benzylthio)-N-(2-chloro-5-piperidinosulfonyl-phenyl)propionamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C21H25ClN2O3S2/c1-16(28-15-17-8-4-2-5-9-17)21(25)23-20-14-18(10-11-19(20)22)29(26,27)24-12-6-3-7-13-24/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,23,25)/t16-/m1/s1