ethyl 4-[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-(p-tolylmethylsulfinylmethyl)furan-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-[(4-methylphenyl)methylsulfinylmethyl]-2-furanyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(4-methylbenzyl)sulfinylmethyl]-2-furoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(O2)CS(=O)CC3=CC=C(C=C3)C

InChI

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