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

Systemtic Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one Openeye Name: 2-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]-1,2-benzothiazol-3-one CAS Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]methyl]-1,2-benzothiazol-3-one IUPAC Name: 2-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-1,2-benzothiazol-3-one Traditional Name: 2-[(4-indan-5-ylsulfonylpiperazino)methyl]-1,2-benzothiazol-3-one Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=C5S4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5S4

InChI

InChI=1S/C21H23N3O3S2/c25-21-19-6-1-2-7-20(19)28-24(21)15-22-10-12-23(13-11-22)29(26,27)18-9-8-16-4-3-5-17(16)14-18/h1-2,6-9,14H,3-5,10-13,15H2