4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-ethyl-6-methylsulfonyl-quinoline-3-carboxamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-ethyl-6-methylsulfonyl-quinoline-3-carboxamide Openeye Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-8-ethyl-6-methylsulfonyl-quinoline-3-carboxamide CAS Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-8-ethyl-6-methylsulfonyl-3-quinolinecarboxamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-ethyl-6-methylsulfonylquinoline-3-carboxamide Traditional Name: 4-(coumaran-4-ylamino)-8-ethyl-6-mesyl-quinoline-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=C4CCOC4=CC=C3

Isomeric SMILES

CCC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=C4CCOC4=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-3-12-9-13(29(2,26)27)10-15-19(12)23-11-16(21(22)25)20(15)24-17-5-4-6-18-14(17)7-8-28-18/h4-6,9-11H,3,7-8H2,1-2H3,(H2,22,25)(H,23,24)