1-ethyl-N,N-dimethyl-2-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-N,N-dimethyl-2-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxidanylidene-propyl]benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-N,N-dimethyl-2-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxo-propyl]benzimidazole-5-sulfonamide CAS Name: 1-ethyl-N,N-dimethyl-2-[3-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-3-oxopropyl]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-N,N-dimethyl-2-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-oxopropyl]benzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[3-keto-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propyl]-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCCCCC3C4=CC=CN4C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)N3CCCCCC3C4=CC=CN4C

InChI

InChI=1S/C25H35N5O3S/c1-5-29-21-13-12-19(34(32,33)27(2)3)18-20(21)26-24(29)14-15-25(31)30-17-8-6-7-10-23(30)22-11-9-16-28(22)4/h9,11-13,16,18,23H,5-8,10,14-15,17H2,1-4H3