3-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-[4-(4-fluorophenyl)sulfonylpiperazino]-4-keto-butyl]-1,2,3-benzotriazin-4-one Formula: C21H22FN5O4S MolecularWeight: 459.493883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN5O4S/c22-16-7-9-17(10-8-16)32(30,31)26-14-12-25(13-15-26)20(28)6-3-11-27-21(29)18-4-1-2-5-19(18)23-24-27/h1-2,4-5,7-10H,3,6,11-15H2