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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=NC(=NC=C3Cl)S(=O)(=O)CC

InChI

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