N-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-ethyl-2-benzimidazolyl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-ethylbenzimidazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N5O5S/c1-3-26-19-7-5-4-6-18(19)23-22(26)24-21(28)16-10-12-25(13-11-16)33(31,32)20-14-17(27(29)30)9-8-15(20)2/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,24,28)