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

Systemtic Name: ethyl 5-[4-[(3,3-dimethyl-1-phenyl-butyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[[4-[(3,3-dimethyl-1-phenyl-butyl)carbamoyl]-1-piperidyl]sulfonyl]furan-2-carboxylate CAS Name: 5-[[4-[[(3,3-dimethyl-1-phenylbutyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(3,3-dimethyl-1-phenylbutyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[(3,3-dimethyl-1-phenyl-butyl)carbamoyl]piperidino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6S/c1-5-32-24(29)21-11-12-22(33-21)34(30,31)27-15-13-19(14-16-27)23(28)26-20(17-25(2,3)4)18-9-7-6-8-10-18/h6-12,19-20H,5,13-17H2,1-4H3,(H,26,28)