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

Systemtic Name: N-[1-(4-bromophenyl)ethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[1-(4-bromophenyl)ethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[1-(4-bromophenyl)ethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[1-(4-bromophenyl)ethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[1-(4-bromophenyl)ethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H25BrN2O4S MolecularWeight: 529.446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25BrN2O4S/c1-17(18-7-9-21(26)10-8-18)27-25(29)24-15-19-5-3-4-6-20(19)16-28(24)33(30,31)23-13-11-22(32-2)12-14-23/h3-14,17,24H,15-16H2,1-2H3,(H,27,29)