7-methoxy-4-[4-(methylamino)-4-(3-methylsulfonylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxy-quinoline-6-carboxamide

Systemtic Name: 7-methoxy-4-[4-(methylamino)-4-(3-methylsulfonylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxy-quinoline-6-carboxamide Openeye Name: 7-methoxy-4-[4-(methylamino)-4-(3-methylsulfonylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxy-quinoline-6-carboxamide CAS Name: 7-methoxy-4-[[4-(methylamino)-4-[(3-methylsulfonylpropylamino)-oxomethyl]-1-cyclohexa-2,5-dienyl]oxy]-6-quinolinecarboxamide IUPAC Name: 7-methoxy-4-[4-(methylamino)-4-(3-methylsulfonylpropylcarbamoyl)cyclohexa-2,5-dien-1-yl]oxyquinoline-6-carboxamide Traditional Name: 4-[4-(3-mesylpropylcarbamoyl)-4-(methylamino)cyclohexa-2,5-dien-1-yl]oxy-7-methoxy-quinoline-6-carboxamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CNC1(C=CC(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)C(=O)N)C(=O)NCCCS(=O)(=O)C

Isomeric SMILES

CNC1(C=CC(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)C(=O)N)C(=O)NCCCS(=O)(=O)C

InChI

InChI=1S/C23H28N4O6S/c1-25-23(22(29)27-10-4-12-34(3,30)31)8-5-15(6-9-23)33-19-7-11-26-18-14-20(32-2)17(21(24)28)13-16(18)19/h5-9,11,13-15,25H,4,10,12H2,1-3H3,(H2,24,28)(H,27,29)