[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate

Systemtic Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: [2-[(2S)-2-ethyl-1-piperidyl]-2-oxo-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-[(2S)-2-ethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-[(2S)-2-ethylpiperidino]-2-keto-ethyl] ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H28N2O7S/c1-2-15-6-3-4-9-22(15)19(23)14-29-20(24)13-21-30(25,26)16-7-8-17-18(12-16)28-11-5-10-27-17/h7-8,12,15,21H,2-6,9-11,13-14H2,1H3/t15-/m0/s1