1-ethyl-2-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-ethyl-2-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-ethyl-2-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-[[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]thio]benzimidazole-5-sulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(N2CC)C=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C20H23N3O3S2/c1-4-14-6-8-15(9-7-14)19(24)13(3)27-20-22-17-12-16(28(21,25)26)10-11-18(17)23(20)5-2/h6-13H,4-5H2,1-3H3,(H2,21,25,26)/t13-/m0/s1