N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[4-(3-chloro-4-fluoro-anilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methyl-1-piperazinyl)but-1-ynyl]-6-quinazolinyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]propanamide Traditional Name: 3-besyl-N-[4-(3-chloro-4-fluoro-anilino)-7-[3-methyl-3-(4-methylpiperazino)but-1-ynyl]quinazolin-6-yl]propionamide Formula: C33H34ClFN6O3S MolecularWeight: 649.177863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC2=C(C=C1NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C(=NC=N2)NC4=CC(=C(C=C4)F)Cl)N5CCN(CC5)C

Isomeric SMILES

CC(C)(C#CC1=CC2=C(C=C1NC(=O)CCS(=O)(=O)C3=CC=CC=C3)C(=NC=N2)NC4=CC(=C(C=C4)F)Cl)N5CCN(CC5)C

InChI

InChI=1S/C33H34ClFN6O3S/c1-33(2,41-16-14-40(3)15-17-41)13-11-23-19-30-26(32(37-22-36-30)38-24-9-10-28(35)27(34)20-24)21-29(23)39-31(42)12-18-45(43,44)25-7-5-4-6-8-25/h4-10,19-22H,12,14-18H2,1-3H3,(H,39,42)(H,36,37,38)