[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenoxy)ethanoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenoxy)ethanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(2,5-dimethylphenoxy)acetate CAS Name: 2-(2,5-dimethylphenoxy)acetic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate Traditional Name: 2-(2,5-dimethylphenoxy)acetic 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:

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H28N2O6S/c1-19-7-8-20(2)24(15-19)33-18-26(30)34-17-25(29)27-11-13-28(14-12-27)35(31,32)23-10-9-21-5-3-4-6-22(21)16-23/h3-10,15-16H,11-14,17-18H2,1-2H3