(2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: (2S)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C18H23ClN4O3S2 MolecularWeight: 442.98322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=NC=CN3C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=NC=CN3C

InChI

InChI=1S/C18H23ClN4O3S2/c1-13(27-18-20-8-11-22(18)2)17(24)21-16-12-14(6-7-15(16)19)28(25,26)23-9-4-3-5-10-23/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,21,24)/t13-/m0/s1