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

Systemtic Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-1-pyrazolyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3,5-dimethyl-pyrazol-1-yl]methanone Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-17-23(32(30,31)27-15-14-19-8-6-7-9-21(19)16-27)18(2)28(26-17)24(29)20-10-12-22(13-11-20)25(3,4)5/h6-13H,14-16H2,1-5H3