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

Systemtic Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[[4-(dimethylaminomethyl)phenyl]methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[4-(dimethylaminomethyl)benzyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-23(2)15-17-8-6-16(7-9-17)14-22-21(25)19-10-11-20-18(13-19)5-4-12-24(20)28(3,26)27/h6-11,13H,4-5,12,14-15H2,1-3H3,(H,22,25)