4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Openeye Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3,5-trimethyl-4-pyrazolyl)benzamide IUPAC Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O3S/c1-14-21(15(2)26(3)25-14)24-22(28)17-8-9-19(23)20(12-17)31(29,30)27-11-10-16-6-4-5-7-18(16)13-27/h4-9,12H,10-11,13H2,1-3H3,(H,24,28)