2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C16H20ClN3O4S MolecularWeight: 385.8657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O4S/c1-10-15(16(17)19(2)18-10)25(21,22)20-6-5-11-7-13(23-3)14(24-4)8-12(11)9-20/h7-8H,5-6,9H2,1-4H3