2-methoxy-5-[2-[4-(2-phenylquinazolin-4-yl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 2-methoxy-5-[2-[4-(2-phenylquinazolin-4-yl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Openeye Name: 2-methoxy-5-[2-[4-(2-phenylquinazolin-4-yl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide CAS Name: 2-methoxy-5-[2-[4-(2-phenyl-4-quinazolinyl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide IUPAC Name: 2-methoxy-5-[2-[4-(2-phenylquinazolin-4-yl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Traditional Name: 2-methoxy-5-[2-[4-(2-phenylquinazolin-4-yl)-1,4-diazepan-1-yl]ethyl]benzenesulfonamide Formula: C28H31N5O3S MolecularWeight: 517.64244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C28H31N5O3S/c1-36-25-13-12-21(20-26(25)37(29,34)35)14-17-32-15-7-16-33(19-18-32)28-23-10-5-6-11-24(23)30-27(31-28)22-8-3-2-4-9-22/h2-6,8-13,20H,7,14-19H2,1H3,(H2,29,34,35)