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

Systemtic Name: 2-[[(3-cyanophenyl)amino]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(3-cyanoanilino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(3-cyanoanilino)methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(3-cyanoanilino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(3-cyanoanilino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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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)C#N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H23N5O2S/c1-4-10-25-19-9-8-17(28(26,27)24(2)3)12-18(19)23-20(25)14-22-16-7-5-6-15(11-16)13-21/h5-9,11-12,22H,4,10,14H2,1-3H3