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

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-(2-methyl-5-propionamido-phenyl)-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-4-20(25)22-17-9-7-14(2)18(13-17)23-21(26)16-8-10-19-15(12-16)6-5-11-24(19)29(3,27)28/h7-10,12-13H,4-6,11H2,1-3H3,(H,22,25)(H,23,26)