1-butyl-2-[(4-chloranyl-2-nitro-phenoxy)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-chloranyl-2-nitro-phenoxy)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-chloro-2-nitro-phenoxy)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-chloro-2-nitrophenoxy)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-chloro-2-nitrophenoxy)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-chloro-2-nitro-phenoxy)methyl]benzimidazole-5-sulfonamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O5S/c1-2-3-8-22-15-6-5-13(29(20,26)27)10-14(15)21-18(22)11-28-17-7-4-12(19)9-16(17)23(24)25/h4-7,9-10H,2-3,8,11H2,1H3,(H2,20,26,27)