4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-thiophen-2-yl-quinazoline

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-thiophen-2-yl-quinazoline Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(2-thienyl)quinazoline CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-thiophen-2-ylquinazoline IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-(2-thienyl)quinazoline Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCN1C2=NC(=NC3=CC=CC=C32)C4=CC=CS4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C24H22N4O4S2/c29-34(30,17-7-8-20-21(16-17)32-14-13-31-20)28-11-9-27(10-12-28)24-18-4-1-2-5-19(18)25-23(26-24)22-6-3-15-33-22/h1-8,15-16H,9-14H2