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

Systemtic Name: 3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H19N5O4S2/c26-19-15-6-2-3-7-16(15)22-23-25(19)13-30-20-21-17-12-14(8-9-18(17)29-20)31(27,28)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2