3-methoxy-4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzaldehyde

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]benzaldehyde Openeye Name: 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-benzaldehyde CAS Name: 4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-(4-besylpiperazino)-2-keto-ethoxy]-3-methoxy-benzaldehyde Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-27-19-13-16(14-23)7-8-18(19)28-15-20(24)21-9-11-22(12-10-21)29(25,26)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3