3,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[[4-(3-phenylpropylamino)-2-quinazolinyl]methyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=NC3=CC=CC=C3C(=N2)NCCCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N4O4S/c1-33-23-15-14-20(17-24(23)34-2)35(31,32)28-18-25-29-22-13-7-6-12-21(22)26(30-25)27-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17,28H,8,11,16,18H2,1-2H3,(H,27,29,30)