3,5-dimethyl-4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 3,5-dimethyl-4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 3,5-dimethyl-4-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethoxy]benzaldehyde CAS Name: 3,5-dimethyl-4-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 3,5-dimethyl-4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethoxy]benzaldehyde Traditional Name: 4-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethoxy]-3,5-dimethyl-benzaldehyde Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)C=O

InChI

InChI=1S/C25H26N2O5S/c1-18-13-20(16-28)14-19(2)25(18)32-17-24(29)26-9-11-27(12-10-26)33(30,31)23-8-7-21-5-3-4-6-22(21)15-23/h3-8,13-16H,9-12,17H2,1-2H3