(2-bromophenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone

Systemtic Name: (2-bromophenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Openeye Name: (2-bromophenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone CAS Name: (2-bromophenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methanone IUPAC Name: (2-bromophenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methanone Traditional Name: (2-bromophenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Formula: C21H20BrN3O3S MolecularWeight: 474.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC=CC=C2Br)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC=CC=C2Br)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H20BrN3O3S/c1-14-20(15(2)25(23-14)21(26)18-9-5-6-10-19(18)22)29(27,28)24-12-11-16-7-3-4-8-17(16)13-24/h3-10H,11-13H2,1-2H3