[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H28N2O6S/c1-2-17-5-3-4-10-22(17)19(23)15-28-20(24)16-6-8-18(9-7-16)29(25,26)21-11-13-27-14-12-21/h6-9,17H,2-5,10-15H2,1H3/t17-/m0/s1