4-(2-azanyl-7-methoxy-4-morpholin-4-ylcarbonyl-1-quinazolin-2-yl-1,4-diazepan-6-yl)benzenesulfonamide

Systemtic Name: 4-(2-azanyl-7-methoxy-4-morpholin-4-ylcarbonyl-1-quinazolin-2-yl-1,4-diazepan-6-yl)benzenesulfonamide Openeye Name: 4-[2-amino-7-methoxy-4-(morpholine-4-carbonyl)-1-quinazolin-2-yl-1,4-diazepan-6-yl]benzenesulfonamide CAS Name: 4-[2-amino-7-methoxy-4-[4-morpholinyl(oxo)methyl]-1-(2-quinazolinyl)-1,4-diazepan-6-yl]benzenesulfonamide IUPAC Name: 4-[2-amino-7-methoxy-4-(morpholine-4-carbonyl)-1-quinazolin-2-yl-1,4-diazepan-6-yl]benzenesulfonamide Traditional Name: 4-[2-amino-7-methoxy-4-(morpholine-4-carbonyl)-1-quinazolin-2-yl-1,4-diazepan-6-yl]benzenesulfonamide Formula: C25H31N7O5S MolecularWeight: 541.62254

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(CN(CC(N1C2=NC3=CC=CC=C3C=N2)N)C(=O)N4CCOCC4)C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

COC1C(CN(CC(N1C2=NC3=CC=CC=C3C=N2)N)C(=O)N4CCOCC4)C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C25H31N7O5S/c1-36-23-20(17-6-8-19(9-7-17)38(27,34)35)15-31(25(33)30-10-12-37-13-11-30)16-22(26)32(23)24-28-14-18-4-2-3-5-21(18)29-24/h2-9,14,20,22-23H,10-13,15-16,26H2,1H3,(H2,27,34,35)