[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate CAS Name: (2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]propanoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] (2S)-2-(2,2-dimethylpropanoylamino)propanoate Traditional Name: (2S)-2-(pivaloylamino)propionic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C24H31N3O6S/c1-17(25-23(30)24(2,3)4)22(29)33-16-21(28)26-11-13-27(14-12-26)34(31,32)20-10-9-18-7-5-6-8-19(18)15-20/h5-10,15,17H,11-14,16H2,1-4H3,(H,25,30)/t17-/m0/s1