N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(4-piperidinosulfonylphenyl)propionamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c26-21(18-7-9-19(10-8-18)25(28)29)16-23-22(27)13-6-17-4-11-20(12-5-17)32(30,31)24-14-2-1-3-15-24/h4-5,7-12,21,26H,1-3,6,13-16H2,(H,23,27)