1-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-[(E)-cinnamyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-[(E)-cinnamyl]piperazino]methyl]benzimidazole-5-sulfonamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O2S/c1-2-3-14-30-24-12-11-22(33(26,31)32)19-23(24)27-25(30)20-29-17-15-28(16-18-29)13-7-10-21-8-5-4-6-9-21/h4-12,19H,2-3,13-18,20H2,1H3,(H2,26,31,32)/b10-7+