ethyl 4-[4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[cyclopropyl(2-furylmethyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[[cyclopropyl(2-furanylmethyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[cyclopropyl(2-furfuryl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CO3)C4CC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CO3)C4CC4

InChI

InChI=1S/C23H28N2O6S/c1-2-30-23(27)18-5-9-21(10-6-18)32(28,29)24-13-11-17(12-14-24)22(26)25(19-7-8-19)16-20-4-3-15-31-20/h3-6,9-10,15,17,19H,2,7-8,11-14,16H2,1H3