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

Systemtic Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 4-(4-indan-5-ylsulfonylpiperazin-1-yl)-3-nitro-benzaldehyde CAS Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 4-(4-indan-5-ylsulfonylpiperazino)-3-nitro-benzaldehyde Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c24-14-15-4-7-19(20(12-15)23(25)26)21-8-10-22(11-9-21)29(27,28)18-6-5-16-2-1-3-17(16)13-18/h4-7,12-14H,1-3,8-11H2