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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-bromophenyl)methyl]-5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: N-[(3-bromophenyl)methyl]-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: N-[(3-bromophenyl)methyl]-5-chloro-N-(1,1-dioxo-3-thiolanyl)-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: N-[(3-bromophenyl)methyl]-5-chloro-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: N-(3-bromobenzyl)-5-chloro-N-(1,1-diketothiolan-3-yl)-2-mesyl-pyrimidine-4-carboxamide Formula: C17H17BrClN3O5S2 MolecularWeight: 522.82098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN3O5S2/c1-28(24,25)17-20-8-14(19)15(21-17)16(23)22(13-5-6-29(26,27)10-13)9-11-3-2-4-12(18)7-11/h2-4,7-8,13H,5-6,9-10H2,1H3