2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide Formula: C21H31N7O3S2 MolecularWeight: 493.64594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NN=C(N3CC)N4CCOCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NN=C(N3CC)N4CCOCC4

InChI

InChI=1S/C21H31N7O3S2/c1-5-9-28-18-8-7-16(33(29,30)25(3)4)14-17(18)22-19(28)15-32-21-24-23-20(27(21)6-2)26-10-12-31-13-11-26/h7-8,14H,5-6,9-13,15H2,1-4H3