2-[[(4-chloranyl-3-nitro-phenyl)amino]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[(4-chloranyl-3-nitro-phenyl)amino]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-chloro-3-nitro-anilino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-chloro-3-nitroanilino)methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-chloro-3-nitroanilino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-chloro-3-nitro-anilino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C19H22ClN5O4S MolecularWeight: 451.92708

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5O4S/c1-4-9-24-17-8-6-14(30(28,29)23(2)3)11-16(17)22-19(24)12-21-13-5-7-15(20)18(10-13)25(26)27/h5-8,10-11,21H,4,9,12H2,1-3H3