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

Systemtic Name: 1-[3-(2,3-dihydro-1,4-oxathiin-6-ylcarbonylamino)-4-methyl-phenyl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)-4-methyl-benzoyl]piperidine-4-carboxamide CAS Name: 1-[[3-[[2,3-dihydro-1,4-oxathiin-6-yl(oxo)methyl]amino]-4-methylphenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(2,3-dihydro-1,4-oxathiine-6-carbonylamino)-4-methylbenzoyl]piperidine-4-carboxamide Traditional Name: 1-[3-(2,3-dihydro-1,4-oxathiin-6-carbonylamino)-4-methyl-benzoyl]isonipecotamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)NC(=O)C3=CSCCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)N)NC(=O)C3=CSCCO3

InChI

InChI=1S/C19H23N3O4S/c1-12-2-3-14(19(25)22-6-4-13(5-7-22)17(20)23)10-15(12)21-18(24)16-11-27-9-8-26-16/h2-3,10-11,13H,4-9H2,1H3,(H2,20,23)(H,21,24)