4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-2-methoxy-quinoline-6-carboxamide; methanesulfonate

Systemtic Name: 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-2-methoxy-quinoline-6-carboxamide; methanesulfonate Openeye Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-2-methoxy-quinoline-6-carboxamide; methanesulfonate CAS Name: 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-2-methoxy-6-quinolinecarboxamide; methanesulfonate IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-2-methoxyquinoline-6-carboxamide; methanesulfonate Traditional Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-2-methoxy-quinoline-6-carboxamide mesylate Formula: C22H22ClN4O7S- MolecularWeight: 521.95068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C=C(C=C2)C(=O)N)C(=C1)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=NC2=C(C=C(C=C2)C(=O)N)C(=C1)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H19ClN4O4.CH4O3S/c1-29-19-10-18(14-8-11(20(23)27)2-6-16(14)25-19)30-13-5-7-17(15(22)9-13)26-21(28)24-12-3-4-12;1-5(2,3)4/h2,5-10,12H,3-4H2,1H3,(H2,23,27)(H2,24,26,28);1H3,(H,2,3,4)/p-1