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

Systemtic Name: N-[(4-bromophenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-ethylsulfonyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromobenzyl)-2-esyl-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-3-27(25,26)23-14-17-7-5-4-6-16(17)12-19(23)20(24)22(2)13-15-8-10-18(21)11-9-15/h4-11,19H,3,12-14H2,1-2H3