ethyl 3-[[(3S)-3-[(thiophen-2-ylsulfonylamino)methyl]piperidin-1-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[(3S)-3-[(thiophen-2-ylsulfonylamino)methyl]piperidin-1-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[(3S)-3-[(2-thienylsulfonylamino)methyl]piperidine-1-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[(3S)-3-[(thiophen-2-ylsulfonylamino)methyl]-1-piperidinyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[(3S)-3-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-carbonyl]amino]propanoate Traditional Name: 3-[[(3S)-3-[(2-thienylsulfonylamino)methyl]piperidine-1-carbonyl]amino]propionic acid ethyl ester Formula: C16H25N3O5S2 MolecularWeight: 403.5168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)N1CCCC(C1)CNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)CCNC(=O)N1CCC[C@@H](C1)CNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H25N3O5S2/c1-2-24-14(20)7-8-17-16(21)19-9-3-5-13(12-19)11-18-26(22,23)15-6-4-10-25-15/h4,6,10,13,18H,2-3,5,7-9,11-12H2,1H3,(H,17,21)/t13-/m1/s1