4-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]-6-(phenylsulfonyl)quinoline-3-carboxamide

Systemtic Name: 4-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]-6-(phenylsulfonyl)quinoline-3-carboxamide Openeye Name: 6-(benzenesulfonyl)-4-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]quinoline-3-carboxamide CAS Name: 6-(benzenesulfonyl)-4-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]-3-quinolinecarboxamide IUPAC Name: 6-(benzenesulfonyl)-4-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]quinoline-3-carboxamide Traditional Name: 6-besyl-4-[(3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl)amino]quinoline-3-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(CCC2)NC3=C4C=C(C=CC4=NC=C3C(=O)N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=COC2=C1C(CCC2)NC3=C4C=C(C=CC4=NC=C3C(=O)N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c1-15-14-32-22-9-5-8-21(23(15)22)28-24-18-12-17(33(30,31)16-6-3-2-4-7-16)10-11-20(18)27-13-19(24)25(26)29/h2-4,6-7,10-14,21H,5,8-9H2,1H3,(H2,26,29)(H,27,28)