2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N,N-diethyl-1-(4-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C26H34N4O4S2 MolecularWeight: 530.70256

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H34N4O4S2/c1-4-29(5-2)36(32,33)22-14-15-24-23(18-22)27-26(30(24)20-10-12-21(34-3)13-11-20)35-19-25(31)28-16-8-6-7-9-17-28/h10-15,18H,4-9,16-17,19H2,1-3H3