2-(3-methyl-1-propan-2-yl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-methyl-1-propan-2-yl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(1-isopropyl-3-methyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3-methyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(1-isopropyl-3-methyl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)C

InChI

InChI=1S/C16H21N3O2S/c1-12(2)19-11-16(13(3)17-19)22(20,21)18-9-8-14-6-4-5-7-15(14)10-18/h4-7,11-12H,8-10H2,1-3H3