ethyl 4-[4-[4-(4-oxidanylidenequinazolin-3-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[4-(4-oxidanylidenequinazolin-3-yl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[4-(4-oxoquinazolin-3-yl)benzoyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo-[4-(4-oxo-3-quinazolinyl)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(4-oxoquinazolin-3-yl)benzoyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-(4-ketoquinazolin-3-yl)benzoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C28H26N4O6S MolecularWeight: 546.59424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C28H26N4O6S/c1-2-38-28(35)21-9-13-23(14-10-21)39(36,37)31-17-15-30(16-18-31)26(33)20-7-11-22(12-8-20)32-19-29-25-6-4-3-5-24(25)27(32)34/h3-14,19H,2,15-18H2,1H3