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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-15-22(32(28,29)25-12-11-17-7-5-6-8-19(17)14-25)16(2)26(24-15)23(27)18-9-10-20(30-3)21(13-18)31-4/h5-10,13H,11-12,14H2,1-4H3