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

Systemtic Name: 1-butyl-2-[(4-phenylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-phenylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-phenyl-1-piperazinyl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-phenylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-phenylpiperazino)methyl]benzimidazole-5-sulfonamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2S/c1-2-3-11-27-21-10-9-19(30(23,28)29)16-20(21)24-22(27)17-25-12-14-26(15-13-25)18-7-5-4-6-8-18/h4-10,16H,2-3,11-15,17H2,1H3,(H2,23,28,29)