3-[3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-oxo-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-(4-benzylsulfonylpiperazino)-3-keto-propyl]-1,2,3-benzotriazin-4-one Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O4S/c27-20(10-11-26-21(28)18-8-4-5-9-19(18)22-23-26)24-12-14-25(15-13-24)31(29,30)16-17-6-2-1-3-7-17/h1-9H,10-16H2