N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-[(4-ethoxyphenyl)methyl]-2-propylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-N-[(4-ethoxyphenyl)methyl]-2-propylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]-2-propylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(1,1-dioxo-3-thiolanyl)-N-[(4-ethoxyphenyl)methyl]-2-propylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]-2-propylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(1,1-diketothiolan-3-yl)-N-(4-ethoxybenzyl)-2-propylsulfonyl-pyrimidine-4-carboxamide Formula: C21H26ClN3O6S2 MolecularWeight: 516.03064

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)OCC)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=C(C=C2)OCC)C3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C21H26ClN3O6S2/c1-3-10-33(29,30)21-23-12-18(22)19(24-21)20(26)25(16-9-11-32(27,28)14-16)13-15-5-7-17(8-6-15)31-4-2/h5-8,12,16H,3-4,9-11,13-14H2,1-2H3