N-[3-[(4-ethoxyphenyl)methylsulfanyl]-4-isoquinolin-3-yl-1H-pyrazol-5-yl]-2-methyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-ethoxyphenyl)methylsulfanyl]-4-isoquinolin-3-yl-1H-pyrazol-5-yl]-2-methyl-benzenesulfonamide Openeye Name: N-[3-[(4-ethoxyphenyl)methylsulfanyl]-4-(3-isoquinolyl)-1H-pyrazol-5-yl]-2-methyl-benzenesulfonamide CAS Name: N-[3-[(4-ethoxyphenyl)methylthio]-4-(3-isoquinolinyl)-1H-pyrazol-5-yl]-2-methylbenzenesulfonamide IUPAC Name: N-[3-[(4-ethoxyphenyl)methylsulfanyl]-4-isoquinolin-3-yl-1H-pyrazol-5-yl]-2-methylbenzenesulfonamide Traditional Name: N-[3-[(4-ethoxybenzyl)thio]-4-(3-isoquinolyl)-1H-pyrazol-5-yl]-2-methyl-benzenesulfonamide Formula: C28H26N4O3S2 MolecularWeight: 530.66104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=NNC(=C2C3=CC4=CC=CC=C4C=N3)NS(=O)(=O)C5=CC=CC=C5C

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NNC(=C2C3=CC4=CC=CC=C4C=N3)NS(=O)(=O)C5=CC=CC=C5C

InChI

InChI=1S/C28H26N4O3S2/c1-3-35-23-14-12-20(13-15-23)18-36-28-26(24-16-21-9-5-6-10-22(21)17-29-24)27(30-31-28)32-37(33,34)25-11-7-4-8-19(25)2/h4-17H,3,18H2,1-2H3,(H2,30,31,32)