3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[1-(4-propylphenyl)sulfonyl-4-piperidyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[1-(4-propylphenyl)sulfonyl-4-piperidinyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[1-(4-propylphenyl)sulfonyl-4-piperidyl]-1,2,3-benzotriazin-4-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H24N4O3S/c1-2-5-16-8-10-18(11-9-16)29(27,28)24-14-12-17(13-15-24)25-21(26)19-6-3-4-7-20(19)22-23-25/h3-4,6-11,17H,2,5,12-15H2,1H3