2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-yl-benzimidazole-5-sulfonamide Openeye Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N,N-diethyl-1-isopropyl-benzimidazole-5-sulfonamide CAS Name: 2-[(2,3-dimethoxyphenyl)methylthio]-N,N-diethyl-1-propan-2-yl-5-benzimidazolesulfonamide IUPAC Name: 2-[(2,3-dimethoxyphenyl)methylsulfanyl]-N,N-diethyl-1-propan-2-ylbenzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-1-isopropyl-2-(o-veratrylthio)benzimidazole-5-sulfonamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC=C3)OC)OC)C(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=C(C(=CC=C3)OC)OC)C(C)C

InChI

InChI=1S/C23H31N3O4S2/c1-7-25(8-2)32(27,28)18-12-13-20-19(14-18)24-23(26(20)16(3)4)31-15-17-10-9-11-21(29-5)22(17)30-6/h9-14,16H,7-8,15H2,1-6H3