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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-tert-butylphenyl)methyl]-5-chloranyl-2-ethylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-3-thiolanyl)-2-ethylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-ethylsulfonylpyrimidine-4-carboxamide Traditional Name: N-(4-tert-butylbenzyl)-5-chloro-N-(1,1-diketothiolan-3-yl)-2-esyl-pyrimidine-4-carboxamide Formula: C22H28ClN3O5S2 MolecularWeight: 514.05782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O5S2/c1-5-33(30,31)21-24-12-18(23)19(25-21)20(27)26(17-10-11-32(28,29)14-17)13-15-6-8-16(9-7-15)22(2,3)4/h6-9,12,17H,5,10-11,13-14H2,1-4H3