N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-2-esyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCOC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CCOC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H30N2O4S/c1-5-30(27,28)25-16-20-9-7-6-8-19(20)15-22(25)23(26)24(4)10-11-29-21-13-17(2)12-18(3)14-21/h6-9,12-14,22H,5,10-11,15-16H2,1-4H3