3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[(4-indan-5-ylsulfonylpiperazino)methyl]-1,2,3-benzotriazin-4-one Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H23N5O3S/c27-21-19-6-1-2-7-20(19)22-23-26(21)15-24-10-12-25(13-11-24)30(28,29)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2