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

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(4-methylsulfonylpiperazin-1-yl)sulfonyl-quinoline-3-carboxamide Openeye Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-6-(4-methylsulfonylpiperazin-1-yl)sulfonyl-quinoline-3-carboxamide CAS Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-6-[(4-methylsulfonyl-1-piperazinyl)sulfonyl]-3-quinolinecarboxamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-(4-methylsulfonylpiperazin-1-yl)sulfonylquinoline-3-carboxamide Traditional Name: 4-(coumaran-4-ylamino)-6-(4-mesylpiperazino)sulfonyl-quinoline-3-carboxamide Formula: C23H25N5O6S2 MolecularWeight: 531.6045

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C(=CN=C3C=C2)C(=O)N)NC4=C5CCOC5=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C(=CN=C3C=C2)C(=O)N)NC4=C5CCOC5=CC=C4

InChI

InChI=1S/C23H25N5O6S2/c1-35(30,31)27-8-10-28(11-9-27)36(32,33)15-5-6-19-17(13-15)22(18(14-25-19)23(24)29)26-20-3-2-4-21-16(20)7-12-34-21/h2-6,13-14H,7-12H2,1H3,(H2,24,29)(H,25,26)