N-[3-[3-(4-methylphenyl)carbonylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-prop-2-ynyl-ethanesulfonamide

Systemtic Name: N-[3-[3-(4-methylphenyl)carbonylpyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-prop-2-ynyl-ethanesulfonamide Openeye Name: N-[3-[3-(4-methylbenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-prop-2-ynyl-ethanesulfonamide CAS Name: N-[3-[3-[(4-methylphenyl)-oxomethyl]-7-pyrazolo[1,5-a]pyrimidinyl]phenyl]-N-prop-2-ynylethanesulfonamide IUPAC Name: N-[3-[3-(4-methylbenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-prop-2-ynylethanesulfonamide Traditional Name: N-propargyl-N-[3-(3-p-toluoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]ethanesulfonamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC#C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCS(=O)(=O)N(CC#C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H22N4O3S/c1-4-15-28(33(31,32)5-2)21-8-6-7-20(16-21)23-13-14-26-25-22(17-27-29(23)25)24(30)19-11-9-18(3)10-12-19/h1,6-14,16-17H,5,15H2,2-3H3