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

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 2-methylbutanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(C)C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O5S/c1-3-16(2)21(25)28-15-20(24)22-10-12-23(13-11-22)29(26,27)19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,16H,3,10-13,15H2,1-2H3