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

Systemtic Name: N,N-dimethyl-2-[[(3-nitrophenyl)amino]methyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(3-nitroanilino)methyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[(3-nitroanilino)methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[(3-nitroanilino)methyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[(3-nitroanilino)methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O4S/c1-4-10-23-18-9-8-16(29(27,28)22(2)3)12-17(18)21-19(23)13-20-14-6-5-7-15(11-14)24(25)26/h5-9,11-12,20H,4,10,13H2,1-3H3