1-[3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)phenyl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)benzoyl]piperidine-4-carboxamide CAS Name: 1-[[3-[[2,3-dihydro-1,4-oxathiin-6-yl(oxo)methyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)benzoyl]piperidine-4-carboxamide Traditional Name: 1-[3-(2,3-dihydro-1,4-oxathiin-6-carbonylamino)benzoyl]isonipecotamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=CC(=CC=C2)NC(=O)C3=CSCCO3

InChI

InChI=1S/C18H21N3O4S/c19-16(22)12-4-6-21(7-5-12)18(24)13-2-1-3-14(10-13)20-17(23)15-11-26-9-8-25-15/h1-3,10-12H,4-9H2,(H2,19,22)(H,20,23)