N-[(2R)-3-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]-2-oxidanyl-propyl]-5-[methyl(methylsulfonyl)amino]-2H-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-3-[4-[3,4-bis(chloranyl)phenoxy]piperidin-1-yl]-2-oxidanyl-propyl]-5-[methyl(methylsulfonyl)amino]-2H-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)-1-piperidyl]-2-hydroxy-propyl]-5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxamide CAS Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)-1-piperidinyl]-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxamide IUPAC Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-5-[methyl(methylsulfonyl)amino]-2H-triazole-4-carboxamide Traditional Name: N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidino]-2-hydroxy-propyl]-5-[mesyl(methyl)amino]-2H-triazole-4-carboxamide Formula: C19H26Cl2N6O5S MolecularWeight: 521.41794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NNN=C1C(=O)NCC(CN2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl)O)S(=O)(=O)C

Isomeric SMILES

CN(C1=NNN=C1C(=O)NC[C@H](CN2CCC(CC2)OC3=CC(=C(C=C3)Cl)Cl)O)S(=O)(=O)C

InChI

InChI=1S/C19H26Cl2N6O5S/c1-26(33(2,30)31)18-17(23-25-24-18)19(29)22-10-12(28)11-27-7-5-13(6-8-27)32-14-3-4-15(20)16(21)9-14/h3-4,9,12-13,28H,5-8,10-11H2,1-2H3,(H,22,29)(H,23,24,25)/t12-/m1/s1