5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(p-tolylmethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-methylphenyl)methylthio]-N-[2-(4-sulfamoylphenyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(4-methylbenzyl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H21ClN4O3S2/c1-14-2-4-16(5-3-14)13-30-21-25-12-18(22)19(26-21)20(27)24-11-10-15-6-8-17(9-7-15)31(23,28)29/h2-9,12H,10-11,13H2,1H3,(H,24,27)(H2,23,28,29)