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

Systemtic Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[(4-indan-5-ylsulfonylpiperazin-1-yl)methyl]-3-nitro-benzamide CAS Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[(4-indan-5-ylsulfonylpiperazino)methyl]-3-nitro-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c22-21(26)17-4-5-18(20(13-17)25(27)28)14-23-8-10-24(11-9-23)31(29,30)19-7-6-15-2-1-3-16(15)12-19/h4-7,12-13H,1-3,8-11,14H2,(H2,22,26)