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

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazole-1-carbonyl]coumarin Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H21N3O5S/c1-15-22(33(30,31)26-12-11-17-7-3-4-9-19(17)14-26)16(2)27(25-15)23(28)20-13-18-8-5-6-10-21(18)32-24(20)29/h3-10,13H,11-12,14H2,1-2H3