ethyl 5-[4-[(4-butylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[(4-butylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[[4-[(4-butylphenyl)carbamoyl]-1-piperidyl]sulfonyl]furan-2-carboxylate CAS Name: 5-[[4-[(4-butylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(4-butylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[(4-butylphenyl)carbamoyl]piperidino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(O3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(O3)C(=O)OCC

InChI

InChI=1S/C23H30N2O6S/c1-3-5-6-17-7-9-19(10-8-17)24-22(26)18-13-15-25(16-14-18)32(28,29)21-12-11-20(31-21)23(27)30-4-2/h7-12,18H,3-6,13-16H2,1-2H3,(H,24,26)