N-[3-[(4-cyanophenyl)methyl]-2,4-bis(oxidanylidene)-1-propyl-quinazolin-7-yl]quinoline-8-sulfonamide

Systemtic Name: N-[3-[(4-cyanophenyl)methyl]-2,4-bis(oxidanylidene)-1-propyl-quinazolin-7-yl]quinoline-8-sulfonamide Openeye Name: N-[3-[(4-cyanophenyl)methyl]-2,4-dioxo-1-propyl-quinazolin-7-yl]quinoline-8-sulfonamide CAS Name: N-[3-[(4-cyanophenyl)methyl]-2,4-dioxo-1-propyl-7-quinazolinyl]-8-quinolinesulfonamide IUPAC Name: N-[3-[(4-cyanophenyl)methyl]-2,4-dioxo-1-propylquinazolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-[3-(4-cyanobenzyl)-2,4-diketo-1-propyl-quinazolin-7-yl]quinoline-8-sulfonamide Formula: C28H23N5O4S MolecularWeight: 525.57832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)N(C1=O)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)N(C1=O)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H23N5O4S/c1-2-15-32-24-16-22(31-38(36,37)25-7-3-5-21-6-4-14-30-26(21)25)12-13-23(24)27(34)33(28(32)35)18-20-10-8-19(17-29)9-11-20/h3-14,16,31H,2,15,18H2,1H3