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

Systemtic Name: 2-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H19N3O2S2/c26-29(27,24-13-12-17-7-4-5-8-18(17)15-24)21-16-25(19-9-2-1-3-10-19)23-22(21)20-11-6-14-28-20/h1-11,14,16H,12-13,15H2