[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H25N3O7S/c25-19(23-21(27)22-14-17-5-4-12-30-17)15-31-20(26)13-16-6-8-18(9-7-16)32(28,29)24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-15H2,(H2,22,23,25,27)