[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: (4-indan-5-ylsulfonylpiperazin-1-yl)-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: (4-indan-5-ylsulfonylpiperazino)-(5-nitrobenzothiophen-2-yl)methanone Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/c26-22(21-14-17-12-18(25(27)28)5-7-20(17)31-21)23-8-10-24(11-9-23)32(29,30)19-6-4-15-2-1-3-16(15)13-19/h4-7,12-14H,1-3,8-11H2