[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CCC2=CC=CC=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H26N2O5S/c28-24(19-32-25(29)13-10-20-6-2-1-3-7-20)26-14-16-27(17-15-26)33(30,31)23-12-11-21-8-4-5-9-22(21)18-23/h1-9,11-12,18H,10,13-17,19H2