4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide; ethanesulfonic acid

Systemtic Name: 4-[3-chloranyl-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide; ethanesulfonic acid Openeye Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide; ethanesulfonic acid CAS Name: 4-[3-chloro-4-[[(cyclopropylamino)-oxomethyl]amino]phenoxy]-7-methoxy-6-quinolinecarboxamide; ethanesulfonic acid IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide; ethanesulfonic acid Traditional Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxy-quinoline-6-carboxamide; esylic acid Formula: C23H25ClN4O7S MolecularWeight: 536.9852

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

Isomeric SMILES

CCS(=O)(=O)O.COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

InChI

InChI=1S/C21H19ClN4O4.C2H6O3S/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11;1-2-6(3,4)5/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28);2H2,1H3,(H,3,4,5)