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

Systemtic Name: 1-butyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(2-thienylsulfonyl)piperazin-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(2-thienylsulfonyl)piperazino]methyl]benzimidazole-5-sulfonamide Formula: C20H27N5O4S3 MolecularWeight: 497.65448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H27N5O4S3/c1-2-3-8-25-18-7-6-16(31(21,26)27)14-17(18)22-19(25)15-23-9-11-24(12-10-23)32(28,29)20-5-4-13-30-20/h4-7,13-14H,2-3,8-12,15H2,1H3,(H2,21,26,27)