1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-pyrimidin-5-yl-pyrrole-3-carboxamide

Systemtic Name: 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-pyrimidin-5-yl-pyrrole-3-carboxamide Openeye Name: 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-pyrimidin-5-yl-pyrrole-3-carboxamide CAS Name: 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(5-pyrimidinyl)-3-pyrrolecarboxamide IUPAC Name: 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-pyrimidin-5-ylpyrrole-3-carboxamide Traditional Name: N-(4-mesylphenyl)-1,4-dimethyl-5-(5-pyrimidyl)pyrrole-3-carboxamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)C)C3=CN=CN=C3

Isomeric SMILES

CC1=C(N(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)C)C3=CN=CN=C3

InChI

InChI=1S/C18H18N4O3S/c1-12-16(10-22(2)17(12)13-8-19-11-20-9-13)18(23)21-14-4-6-15(7-5-14)26(3,24)25/h4-11H,1-3H3,(H,21,23)