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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC(=CC=C3)Br

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC(C)C3=CC(=CC=C3)Br

InChI

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