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

Systemtic Name: 2-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)22-21(17-25(24-22)15-18-9-5-4-6-10-18)29(27,28)26-14-13-19-11-7-8-12-20(19)16-26/h4-12,17H,13-16H2,1-3H3