4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-quinoline-3-carboxamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-quinoline-3-carboxamide Openeye Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonyl-quinoline-3-carboxamide CAS Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-6-[[4-(2-pyrazinyl)-1-piperazinyl]sulfonyl]-3-quinolinecarboxamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylquinoline-3-carboxamide Traditional Name: 4-(coumaran-4-ylamino)-6-(4-pyrazin-2-ylpiperazino)sulfonyl-quinoline-3-carboxamide Formula: C26H25N7O4S MolecularWeight: 531.5862

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C21)NC3=C4C=C(C=CC4=NC=C3C(=O)N)S(=O)(=O)N5CCN(CC5)C6=NC=CN=C6

Isomeric SMILES

C1COC2=CC=CC(=C21)NC3=C4C=C(C=CC4=NC=C3C(=O)N)S(=O)(=O)N5CCN(CC5)C6=NC=CN=C6

InChI

InChI=1S/C26H25N7O4S/c27-26(34)20-15-30-21-5-4-17(14-19(21)25(20)31-22-2-1-3-23-18(22)6-13-37-23)38(35,36)33-11-9-32(10-12-33)24-16-28-7-8-29-24/h1-5,7-8,14-16H,6,9-13H2,(H2,27,34)(H,30,31)