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

Systemtic Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-ethoxyphenyl)methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-(4-ethoxyphenyl)methanone CAS Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-(4-ethoxyphenyl)methanone IUPAC Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]-(4-ethoxyphenyl)methanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]-p-phenetyl-methanone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2C(=C(C(=N2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C23H25N3O4S/c1-4-30-21-11-9-19(10-12-21)23(27)26-17(3)22(16(2)24-26)31(28,29)25-14-13-18-7-5-6-8-20(18)15-25/h5-12H,4,13-15H2,1-3H3