[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C26H28N2O6S MolecularWeight: 496.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCCOC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N2O6S/c29-25(20-34-26(30)11-6-18-33-23-9-2-1-3-10-23)27-14-16-28(17-15-27)35(31,32)24-13-12-21-7-4-5-8-22(21)19-24/h1-5,7-10,12-13,19H,6,11,14-18,20H2