1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(4-ethanoylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-(4-ethanoylphenyl)piperidine-4-carboxamide Openeye Name: N-(4-acetylphenyl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetylphenyl)-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetylphenyl)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetylphenyl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H20ClN3O6S MolecularWeight: 465.9073

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O6S/c1-13(25)14-2-4-16(5-3-14)22-20(26)15-8-10-23(11-9-15)31(29,30)19-12-17(24(27)28)6-7-18(19)21/h2-7,12,15H,8-11H2,1H3,(H,22,26)