2-chloranyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-5-piperidinosulfonyl-benzamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H22ClN3O6S/c21-18-9-8-16(31(29,30)23-10-2-1-3-11-23)12-17(18)20(26)22-13-19(25)14-4-6-15(7-5-14)24(27)28/h4-9,12,19,25H,1-3,10-11,13H2,(H,22,26)