2-ethylsulfonyl-N-(4-propylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(4-propylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(4-propylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(4-propylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(4-propylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(4-propylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C21H26N2O3S/c1-3-7-16-10-12-19(13-11-16)22-21(24)20-14-17-8-5-6-9-18(17)15-23(20)27(25,26)4-2/h5-6,8-13,20H,3-4,7,14-15H2,1-2H3,(H,22,24)