N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-piperidinosulfonyl-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S/c24-19(15-7-9-17(10-8-15)23(26)27)14-21-20(25)16-5-4-6-18(13-16)30(28,29)22-11-2-1-3-12-22/h4-10,13,19,24H,1-3,11-12,14H2,(H,21,25)