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

Systemtic Name: 2-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C23H21N3O2S2/c27-30(28,26-13-12-19-9-4-5-10-20(19)16-26)22-17-25(15-18-7-2-1-3-8-18)24-23(22)21-11-6-14-29-21/h1-11,14,17H,12-13,15-16H2