1-ethyl-2-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C23H31N5O2S2 MolecularWeight: 473.65454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NC(=NC(=C4)C)C(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NC(=NC(=C4)C)C(C)C

InChI

InChI=1S/C23H31N5O2S2/c1-5-28-20-10-9-18(32(29,30)27-11-7-6-8-12-27)14-19(20)25-21(28)15-31-22-13-17(4)24-23(26-22)16(2)3/h9-10,13-14,16H,5-8,11-12,15H2,1-4H3