ethyl 5-[4-[(3,5-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[(3,5-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[[4-[(3,5-dimethylphenyl)carbamoyl]-1-piperidyl]sulfonyl]furan-2-carboxylate CAS Name: 5-[[4-[(3,5-dimethylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(3,5-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[(3,5-dimethylphenyl)carbamoyl]piperidino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H26N2O6S/c1-4-28-21(25)18-5-6-19(29-18)30(26,27)23-9-7-16(8-10-23)20(24)22-17-12-14(2)11-15(3)13-17/h5-6,11-13,16H,4,7-10H2,1-3H3,(H,22,24)