1-butyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(4-benzoylpiperazin-1-yl)methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-benzoyl-1-piperazinyl)methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-benzoylpiperazin-1-yl)methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-benzoylpiperazino)methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3S/c1-2-3-11-28-21-10-9-19(32(24,30)31)16-20(21)25-22(28)17-26-12-14-27(15-13-26)23(29)18-7-5-4-6-8-18/h4-10,16H,2-3,11-15,17H2,1H3,(H2,24,30,31)