N-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

Systemtic Name: N-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: N-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C20H17BrN2O3S2/c21-16-6-3-7-17(12-16)22-20(24)19-18(9-11-27-19)28(25,26)23-10-8-14-4-1-2-5-15(14)13-23/h1-7,9,11-12H,8,10,13H2,(H,22,24)