1-methyl-4-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[2-(3-thienyl)quinazolin-4-yl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[2-(3-thiophenyl)-4-quinazolinyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[2-(3-thienyl)quinazolin-4-yl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C22H22N6O3S2 MolecularWeight: 482.57848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C22H22N6O3S2/c1-26-13-16(12-19(26)20(23)29)33(30,31)28-9-7-27(8-10-28)22-17-4-2-3-5-18(17)24-21(25-22)15-6-11-32-14-15/h2-6,11-14H,7-10H2,1H3,(H2,23,29)