3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-nitro-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-nitro-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-nitrophenyl)methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-nitrophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-(2-chloro-4-nitro-benzyl)-2-methyl-benzimidazole-5-carboxamide Formula: C21H23ClN4O5S MolecularWeight: 478.94912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C21H23ClN4O5S/c1-3-4-5-10-32(30,31)24-21(27)15-7-9-19-20(11-15)25(14(2)23-19)13-16-6-8-17(26(28)29)12-18(16)22/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,24,27)