2-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3-tert-butyl-1-phenyl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-22(2,3)21-20(16-25(23-21)19-11-5-4-6-12-19)28(26,27)24-14-13-17-9-7-8-10-18(17)15-24/h4-12,16H,13-15H2,1-3H3