4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzaldehyde Openeye Name: 3-nitro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]benzaldehyde CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-nitrobenzaldehyde IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzaldehyde Traditional Name: 3-nitro-4-(4-tosylpiperazino)benzaldehyde Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-14-2-5-16(6-3-14)27(25,26)20-10-8-19(9-11-20)17-7-4-15(13-22)12-18(17)21(23)24/h2-7,12-13H,8-11H2,1H3