3-(2-methylsulfonylethanoylamino)-N-[4-[(4-phenylphenyl)amino]quinazolin-6-yl]propanamide

Systemtic Name: 3-(2-methylsulfonylethanoylamino)-N-[4-[(4-phenylphenyl)amino]quinazolin-6-yl]propanamide Openeye Name: 3-[(2-methylsulfonylacetyl)amino]-N-[4-(4-phenylanilino)quinazolin-6-yl]propanamide CAS Name: 3-[(2-methylsulfonyl-1-oxoethyl)amino]-N-[4-(4-phenylanilino)-6-quinazolinyl]propanamide IUPAC Name: 3-[(2-methylsulfonylacetyl)amino]-N-[4-(4-phenylanilino)quinazolin-6-yl]propanamide Traditional Name: 3-[(2-mesylacetyl)amino]-N-[4-(4-phenylanilino)quinazolin-6-yl]propionamide Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N5O4S/c1-36(34,35)16-25(33)27-14-13-24(32)30-21-11-12-23-22(15-21)26(29-17-28-23)31-20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12,15,17H,13-14,16H2,1H3,(H,27,33)(H,30,32)(H,28,29,31)