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

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-(naphthalen-2-ylcarbonylamino)ethanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(naphthalene-2-carbonylamino)acetate CAS Name: 2-[[2-naphthalenyl(oxo)methyl]amino]acetic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate Traditional Name: 2-(2-naphthoylamino)acetic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C29H27N3O6S MolecularWeight: 545.60618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CNC(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H27N3O6S/c33-27(20-38-28(34)19-30-29(35)25-10-9-21-5-1-3-7-23(21)17-25)31-13-15-32(16-14-31)39(36,37)26-12-11-22-6-2-4-8-24(22)18-26/h1-12,17-18H,13-16,19-20H2,(H,30,35)