N-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[[1-(phenylsulfonyl)indol-5-yl]amino]quinazolin-6-yl]but-2-ynamide Openeye Name: N-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]but-2-ynamide CAS Name: N-[4-[[1-(benzenesulfonyl)-5-indolyl]amino]-6-quinazolinyl]-2-butynamide IUPAC Name: N-[4-[[1-(benzenesulfonyl)indol-5-yl]amino]quinazolin-6-yl]but-2-ynamide Traditional Name: N-[4-[(1-besylindol-5-yl)amino]quinazolin-6-yl]but-2-ynamide Formula: C26H19N5O3S MolecularWeight: 481.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC4=C(C=C3)N(C=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H19N5O3S/c1-2-6-25(32)29-20-9-11-23-22(16-20)26(28-17-27-23)30-19-10-12-24-18(15-19)13-14-31(24)35(33,34)21-7-4-3-5-8-21/h3-5,7-17H,1H3,(H,29,32)(H,27,28,30)