[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H26N2O6S/c1-15-4-3-7-20(13-15)18(22)14-27-19(23)16-5-2-6-17(12-16)28(24,25)21-8-10-26-11-9-21/h2,5-6,12,15H,3-4,7-11,13-14H2,1H3/t15-/m0/s1