N-[(E)-3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-enyl]methanesulfonamide

Systemtic Name: N-[(E)-3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-enyl]methanesulfonamide Openeye Name: N-[(E)-3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]allyl]methanesulfonamide CAS Name: N-[(E)-3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-enyl]methanesulfonamide IUPAC Name: N-[(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-enyl]methanesulfonamide Traditional Name: N-[(E)-3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]allyl]methanesulfonamide Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C=CCNS(=O)(=O)C)OC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)/C=C/CNS(=O)(=O)C)OC4=CN=CC=C4

InChI

InChI=1S/C24H23N5O3S/c1-17-13-19(8-10-23(17)32-20-6-4-11-25-15-20)29-24-21-14-18(5-3-12-28-33(2,30)31)7-9-22(21)26-16-27-24/h3-11,13-16,28H,12H2,1-2H3,(H,26,27,29)/b5-3+