5-bromanyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 5-bromanyl-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 5-bromo-2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethoxy]benzaldehyde CAS Name: 5-bromo-2-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 5-bromo-2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzaldehyde Traditional Name: 5-bromo-2-[2-keto-2-(4-tosylpiperazino)ethoxy]benzaldehyde Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)C=O

InChI

InChI=1S/C20H21BrN2O5S/c1-15-2-5-18(6-3-15)29(26,27)23-10-8-22(9-11-23)20(25)14-28-19-7-4-17(21)12-16(19)13-24/h2-7,12-13H,8-11,14H2,1H3