4-(3,4-dihydro-2H-chromen-5-ylamino)-8-methyl-6-methylsulfonyl-quinoline-3-carboxamide

Systemtic Name: 4-(3,4-dihydro-2H-chromen-5-ylamino)-8-methyl-6-methylsulfonyl-quinoline-3-carboxamide Openeye Name: 4-(chroman-5-ylamino)-8-methyl-6-methylsulfonyl-quinoline-3-carboxamide CAS Name: 4-(3,4-dihydro-2H-1-benzopyran-5-ylamino)-8-methyl-6-methylsulfonyl-3-quinolinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-chromen-5-ylamino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide Traditional Name: 4-(chroman-5-ylamino)-6-mesyl-8-methyl-quinoline-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=C4CCCOC4=CC=C3

Isomeric SMILES

CC1=C2C(=CC(=C1)S(=O)(=O)C)C(=C(C=N2)C(=O)N)NC3=C4CCCOC4=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-12-9-13(29(2,26)27)10-15-19(12)23-11-16(21(22)25)20(15)24-17-6-3-7-18-14(17)5-4-8-28-18/h3,6-7,9-11H,4-5,8H2,1-2H3,(H2,22,25)(H,23,24)