ethyl 4-[[5-[(3-methylphenyl)sulfinylmethyl]furan-2-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-[(3-methylphenyl)sulfinylmethyl]furan-2-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-(m-tolylsulfinylmethyl)furan-2-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[5-[(3-methylphenyl)sulfinylmethyl]-2-furanyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(3-methylphenyl)sulfinylmethyl]furan-2-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-(m-tolylsulfinylmethyl)-2-furoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=C(O2)CS(=O)C3=CC=CC(=C3)C

InChI

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