N-(2-ethyl-6-methyl-phenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-(2-ethyl-6-methylphenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-esyl-N-(2-ethyl-6-methyl-phenyl)-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)CC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)CC)C

InChI

InChI=1S/C21H26N2O3S/c1-4-16-9-6-8-15(3)20(16)22-21(24)18-11-12-19-17(14-18)10-7-13-23(19)27(25,26)5-2/h6,8-9,11-12,14H,4-5,7,10,13H2,1-3H3,(H,22,24)