[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCO2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC[C@H]2CCCO2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O6S/c1-15-7-8-16(12-18(15)29(25,26)22-9-3-2-4-10-22)20(24)28-14-19(23)21-13-17-6-5-11-27-17/h7-8,12,17H,2-6,9-11,13-14H2,1H3,(H,21,23)/t17-/m1/s1