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

Systemtic Name: N-(1H-benzimidazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O5S/c1-13-6-7-15(25(27)28)12-18(13)31(29,30)24-10-8-14(9-11-24)19(26)23-20-21-16-4-2-3-5-17(16)22-20/h2-7,12,14H,8-11H2,1H3,(H2,21,22,23,26)