3-(4-methylphenyl)sulfonyl-4-[(2-methylquinolin-4-yl)amino]but-3-en-2-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-[(2-methylquinolin-4-yl)amino]but-3-en-2-one Openeye Name: 4-[(2-methyl-4-quinolyl)amino]-3-(p-tolylsulfonyl)but-3-en-2-one CAS Name: 3-(4-methylphenyl)sulfonyl-4-[(2-methyl-4-quinolinyl)amino]-3-buten-2-one IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-[(2-methylquinolin-4-yl)amino]but-3-en-2-one Traditional Name: 4-[(2-methyl-4-quinolyl)amino]-3-tosyl-but-3-en-2-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC(=NC3=CC=CC=C32)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC(=NC3=CC=CC=C32)C)C(=O)C

InChI

InChI=1S/C21H20N2O3S/c1-14-8-10-17(11-9-14)27(25,26)21(16(3)24)13-22-20-12-15(2)23-19-7-5-4-6-18(19)20/h4-13H,1-3H3,(H,22,23)