3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(phenylmethyl)pyrazol-3-yl]benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(phenylmethyl)pyrazol-3-yl]benzamide Openeye Name: N-(2-benzylpyrazol-3-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(phenylmethyl)-3-pyrazolyl]benzamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(2-benzylpyrazol-3-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=NN4CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=NN4CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c31-26(28-25-13-15-27-30(25)18-20-7-2-1-3-8-20)22-11-6-12-24(17-22)34(32,33)29-16-14-21-9-4-5-10-23(21)19-29/h1-13,15,17H,14,16,18-19H2,(H,28,31)