2-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-N,N-diethyl-1-methyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-propyl]-N,N-diethyl-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(4-acetylpiperazin-1-yl)-3-oxo-propyl]-N,N-diethyl-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-(4-acetyl-1-piperazinyl)-3-oxopropyl]-N,N-diethyl-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N,N-diethyl-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(4-acetylpiperazino)-3-keto-propyl]-N,N-diethyl-1-methyl-benzimidazole-5-sulfonamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C21H31N5O4S/c1-5-26(6-2)31(29,30)17-7-8-19-18(15-17)22-20(23(19)4)9-10-21(28)25-13-11-24(12-14-25)16(3)27/h7-8,15H,5-6,9-14H2,1-4H3