5-chloranyl-2-(phenylmethyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-(phenylmethyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfonyl-5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(phenylmethyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfonyl-5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Traditional Name: 2-benzylsulfonyl-5-chloro-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C20H19ClN4O5S2/c21-17-12-24-20(31(27,28)13-15-4-2-1-3-5-15)25-18(17)19(26)23-11-10-14-6-8-16(9-7-14)32(22,29)30/h1-9,12H,10-11,13H2,(H,23,26)(H2,22,29,30)