[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 5-methyl-1,2-oxazole-3-carboxylate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 5-methyl-1,2-oxazole-3-carboxylate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 5-methylisoxazole-3-carboxylate CAS Name: 5-methyl-3-isoxazolecarboxylic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 5-methyl-1,2-oxazole-3-carboxylate Traditional Name: 5-methylisoxazole-3-carboxylic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=NO1)C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O6S/c1-15-12-19(22-30-15)21(26)29-14-20(25)23-8-10-24(11-9-23)31(27,28)18-7-6-16-4-2-3-5-17(16)13-18/h2-7,12-13H,8-11,14H2,1H3