ethyl 4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-phenyl-4-quinazolinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-phenylquinazolin-4-yl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4S/c1-2-35-27(32)21-12-14-22(15-13-21)36(33,34)31-18-16-30(17-19-31)26-23-10-6-7-11-24(23)28-25(29-26)20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3