N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-4-methoxy-3-(pyridin-4-ylmethoxy)benzamide

Systemtic Name: N-[[1,1-bis(oxidanylidene)thiolan-3-yl]methyl]-4-methoxy-3-(pyridin-4-ylmethoxy)benzamide Openeye Name: N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-3-(4-pyridylmethoxy)benzamide CAS Name: N-[(1,1-dioxo-3-thiolanyl)methyl]-4-methoxy-3-(pyridin-4-ylmethoxy)benzamide IUPAC Name: N-[(1,1-dioxothiolan-3-yl)methyl]-4-methoxy-3-(pyridin-4-ylmethoxy)benzamide Traditional Name: N-[(1,1-diketothiolan-3-yl)methyl]-4-methoxy-3-(4-pyridylmethoxy)benzamide Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2CCS(=O)(=O)C2)OCC3=CC=NC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2CCS(=O)(=O)C2)OCC3=CC=NC=C3

InChI

InChI=1S/C19H22N2O5S/c1-25-17-3-2-16(10-18(17)26-12-14-4-7-20-8-5-14)19(22)21-11-15-6-9-27(23,24)13-15/h2-5,7-8,10,15H,6,9,11-13H2,1H3,(H,21,22)