2-[(2-chloranyl-4-nitro-phenoxy)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenoxy)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(2-chloro-4-nitro-phenoxy)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(2-chloro-4-nitrophenoxy)methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2-chloro-4-nitrophenoxy)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(2-chloro-4-nitro-phenoxy)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C19H21ClN4O5S MolecularWeight: 452.91184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O5S/c1-4-9-23-17-7-6-14(30(27,28)22(2)3)11-16(17)21-19(23)12-29-18-8-5-13(24(25)26)10-15(18)20/h5-8,10-11H,4,9,12H2,1-3H3