4-[[6-[3-(2-methylsulfonylethanoylamino)propanoylamino]quinazolin-4-yl]amino]-N-phenyl-benzamide

Systemtic Name: 4-[[6-[3-(2-methylsulfonylethanoylamino)propanoylamino]quinazolin-4-yl]amino]-N-phenyl-benzamide Openeye Name: 4-[[6-[3-[(2-methylsulfonylacetyl)amino]propanoylamino]quinazolin-4-yl]amino]-N-phenyl-benzamide CAS Name: 4-[[6-[[3-[(2-methylsulfonyl-1-oxoethyl)amino]-1-oxopropyl]amino]-4-quinazolinyl]amino]-N-phenylbenzamide IUPAC Name: 4-[[6-[3-[(2-methylsulfonylacetyl)amino]propanoylamino]quinazolin-4-yl]amino]-N-phenylbenzamide Traditional Name: 4-[[6-[3-[(2-mesylacetyl)amino]propanoylamino]quinazolin-4-yl]amino]-N-phenyl-benzamide Formula: C27H26N6O5S MolecularWeight: 546.59754

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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)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)CC(=O)NCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H26N6O5S/c1-39(37,38)16-25(35)28-14-13-24(34)31-21-11-12-23-22(15-21)26(30-17-29-23)32-20-9-7-18(8-10-20)27(36)33-19-5-3-2-4-6-19/h2-12,15,17H,13-14,16H2,1H3,(H,28,35)(H,31,34)(H,33,36)(H,29,30,32)