N-[4-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[2-(3-sulfamoylanilino)-4-pyrimidinyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[2-(3-sulfamoylanilino)pyrimidin-4-yl]phenyl]thiophene-2-carboxamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=CC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N5O3S2/c22-31(28,29)17-4-1-3-16(13-17)25-21-23-11-10-18(26-21)14-6-8-15(9-7-14)24-20(27)19-5-2-12-30-19/h1-13H,(H,24,27)(H2,22,28,29)(H,23,25,26)