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

Systemtic Name: ethyl 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(2-thienyl)quinazolin-4-yl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C25H24N4O4S2 MolecularWeight: 508.61246

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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=CS5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C25H24N4O4S2/c1-2-33-25(30)18-9-11-19(12-10-18)35(31,32)29-15-13-28(14-16-29)24-20-6-3-4-7-21(20)26-23(27-24)22-8-5-17-34-22/h3-12,17H,2,13-16H2,1H3