(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-[(3S,5S)-3,5-dimethyl-1-piperidyl]methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[(3S,5S)-3,5-dimethyl-1-piperidinyl]methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-[(3S,5S)-3,5-dimethylpiperidino]methanone Formula: C19H27ClN2O3S MolecularWeight: 398.94728

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

InChI

InChI=1S/C19H27ClN2O3S/c1-14-10-15(2)13-21(12-14)19(23)17-11-16(6-7-18(17)20)26(24,25)22-8-4-3-5-9-22/h6-7,11,14-15H,3-5,8-10,12-13H2,1-2H3/t14-,15-/m0/s1