3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzaldehyde

Systemtic Name: 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzaldehyde Openeye Name: 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzaldehyde Traditional Name: 4-(4-mesitylsulfonylpiperazino)-3-nitro-benzaldehyde Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C=O)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-14-10-15(2)20(16(3)11-14)29(27,28)22-8-6-21(7-9-22)18-5-4-17(13-24)12-19(18)23(25)26/h4-5,10-13H,6-9H2,1-3H3