2-chloranyl-4-nitro-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 2-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-4-nitro-benzamide CAS Name: 2-chloro-N-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-nitrobenzamide Traditional Name: 2-chloro-N-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)-4-nitro-benzamide Formula: C17H16ClN3O6S MolecularWeight: 425.84344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O6S/c18-14-9-11(21(24)25)3-5-13(14)17(23)19-15-10-12(4-6-16(15)22)28(26,27)20-7-1-2-8-20/h3-6,9-10,22H,1-2,7-8H2,(H,19,23)