N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[2-methyl-5-[(2-methyl-1-oxopropyl)amino]phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[5-(isobutyrylamino)-2-methyl-phenyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)C)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-14(2)21(26)23-18-9-7-15(3)19(13-18)24-22(27)17-8-10-20-16(12-17)6-5-11-25(20)30(4,28)29/h7-10,12-14H,5-6,11H2,1-4H3,(H,23,26)(H,24,27)