3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C22H24N6O3S2 MolecularWeight: 484.59436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H24N6O3S2/c1-2-27-20-11-10-16(33(30,31)26-12-6-3-7-13-26)14-19(20)23-22(27)32-15-28-21(29)17-8-4-5-9-18(17)24-25-28/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3