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

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-1-ethyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C21H29N7O3S2 MolecularWeight: 491.63006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NN=C(N3C4CC4)N5CCOCC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NN=C(N3C4CC4)N5CCOCC5

InChI

InChI=1S/C21H29N7O3S2/c1-4-27-18-8-7-16(33(29,30)25(2)3)13-17(18)22-19(27)14-32-21-24-23-20(28(21)15-5-6-15)26-9-11-31-12-10-26/h7-8,13,15H,4-6,9-12,14H2,1-3H3