N,N-dimethyl-2-[(3-nitrophenoxy)methyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[(3-nitrophenoxy)methyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(3-nitrophenoxy)methyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[(3-nitrophenoxy)methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[(3-nitrophenoxy)methyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[(3-nitrophenoxy)methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-4-10-22-18-9-8-16(29(26,27)21(2)3)12-17(18)20-19(22)13-28-15-7-5-6-14(11-15)23(24)25/h5-9,11-12H,4,10,13H2,1-3H3