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

Systemtic Name: N-[(1S)-3-methyl-1-phenyl-butyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[(1S)-3-methyl-1-phenyl-butyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[(1S)-3-methyl-1-phenylbutyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[(1S)-3-methyl-1-phenylbutyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[(1S)-3-methyl-1-phenyl-butyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O3S/c1-16(2)14-20(17-8-5-4-6-9-17)23-22(25)19-11-12-21-18(15-19)10-7-13-24(21)28(3,26)27/h4-6,8-9,11-12,15-16,20H,7,10,13-14H2,1-3H3,(H,23,25)/t20-/m0/s1