N-[4-[(3-butanoyl-8-methoxy-quinolin-4-yl)amino]-3-methyl-phenyl]methanesulfonamide

Systemtic Name: N-[4-[(3-butanoyl-8-methoxy-quinolin-4-yl)amino]-3-methyl-phenyl]methanesulfonamide Openeye Name: N-[4-[(3-butanoyl-8-methoxy-4-quinolyl)amino]-3-methyl-phenyl]methanesulfonamide CAS Name: N-[4-[[8-methoxy-3-(1-oxobutyl)-4-quinolinyl]amino]-3-methylphenyl]methanesulfonamide IUPAC Name: N-[4-[(3-butanoyl-8-methoxyquinolin-4-yl)amino]-3-methylphenyl]methanesulfonamide Traditional Name: N-[4-[(3-butyryl-8-methoxy-4-quinolyl)amino]-3-methyl-phenyl]methanesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)NS(=O)(=O)C)C)C=CC=C2OC

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=C(C=C(C=C3)NS(=O)(=O)C)C)C=CC=C2OC

InChI

InChI=1S/C22H25N3O4S/c1-5-7-19(26)17-13-23-22-16(8-6-9-20(22)29-3)21(17)24-18-11-10-15(12-14(18)2)25-30(4,27)28/h6,8-13,25H,5,7H2,1-4H3,(H,23,24)