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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-N,N-diethyl-1-(2-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-N,N-diethyl-1-(2-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=CC=C4OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)N3CCCCCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C26H34N4O4S2/c1-4-29(5-2)36(32,33)20-14-15-22-21(18-20)27-26(30(22)23-12-8-9-13-24(23)34-3)35-19-25(31)28-16-10-6-7-11-17-28/h8-9,12-15,18H,4-7,10-11,16-17,19H2,1-3H3