2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methoxy]-1-(4-methylpyridin-2-yl)ethanone

Systemtic Name: 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)methoxy]-1-(4-methylpyridin-2-yl)ethanone Openeye Name: 2-[[2-chloro-5-(1-piperidylsulfonyl)phenyl]methoxy]-1-(4-methyl-2-pyridyl)ethanone CAS Name: 2-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]methoxy]-1-(4-methyl-2-pyridinyl)ethanone IUPAC Name: 2-[(2-chloro-5-piperidin-1-ylsulfonylphenyl)methoxy]-1-(4-methylpyridin-2-yl)ethanone Traditional Name: 2-(2-chloro-5-piperidinosulfonyl-benzyl)oxy-1-(4-methyl-2-pyridyl)ethanone Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)COCC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)COCC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-15-7-8-22-19(11-15)20(24)14-27-13-16-12-17(5-6-18(16)21)28(25,26)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10,13-14H2,1H3