N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]isoquinoline-5-sulfonamide CAS Name: N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]isoquinoline-5-sulfonamide Traditional Name: N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]isoquinoline-5-sulfonamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)CNS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H22N4O2S/c31-33(32,25-13-7-12-22-16-27-15-14-24(22)25)28-17-23-19-30(18-20-8-3-1-4-9-20)29-26(23)21-10-5-2-6-11-21/h1-16,19,28H,17-18H2