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

Systemtic Name: 2-(3-tert-butyl-1-cyclopentyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-tert-butyl-1-cyclopentyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3-tert-butyl-1-cyclopentyl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-tert-butyl-1-cyclopentylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-tert-butyl-1-cyclopentyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C4CCCC4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C4CCCC4

InChI

InChI=1S/C21H29N3O2S/c1-21(2,3)20-19(15-24(22-20)18-10-6-7-11-18)27(25,26)23-13-12-16-8-4-5-9-17(16)14-23/h4-5,8-9,15,18H,6-7,10-14H2,1-3H3