3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 3-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethoxy]benzaldehyde CAS Name: 3-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]benzaldehyde Traditional Name: 3-[2-keto-2-(4-tosylpiperazino)ethoxy]benzaldehyde Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-16-5-7-19(8-6-16)28(25,26)22-11-9-21(10-12-22)20(24)15-27-18-4-2-3-17(13-18)14-23/h2-8,13-14H,9-12,15H2,1H3