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

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-pyrrolidinosulfonyl-benzamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H21N3O6S/c23-18(14-6-8-16(9-7-14)22(25)26)13-20-19(24)15-4-3-5-17(12-15)29(27,28)21-10-1-2-11-21/h3-9,12,18,23H,1-2,10-11,13H2,(H,20,24)