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

Systemtic Name: 2-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-N,N-diethyl-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(azepan-1-yl)-3-oxo-propyl]-N,N-diethyl-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-(1-azepanyl)-3-oxopropyl]-N,N-diethyl-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(azepan-1-yl)-3-oxopropyl]-N,N-diethyl-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(azepan-1-yl)-3-keto-propyl]-N,N-diethyl-1-methyl-benzimidazole-5-sulfonamide Formula: C21H32N4O3S MolecularWeight: 420.56878

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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)N3CCCCCC3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C21H32N4O3S/c1-4-25(5-2)29(27,28)17-10-11-19-18(16-17)22-20(23(19)3)12-13-21(26)24-14-8-6-7-9-15-24/h10-11,16H,4-9,12-15H2,1-3H3