N-(1H-benzimidazol-2-yl)-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18ClN5O5S/c20-14-6-5-13(25(27)28)11-17(14)31(29,30)24-9-7-12(8-10-24)18(26)23-19-21-15-3-1-2-4-16(15)22-19/h1-6,11-12H,7-10H2,(H2,21,22,23,26)