1-ethyl-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-ethyl-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(1R)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 1-ethyl-2-[[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-5-benzimidazolesulfonamide IUPAC Name: 2-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[(1R)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O3S2/c1-3-28-21-10-9-19(33(24,30)31)15-20(21)25-23(28)32-17(2)22(29)27-13-11-26(12-14-27)16-18-7-5-4-6-8-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H2,24,30,31)/t17-/m1/s1