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

Systemtic Name: N-[3-[(4-ethoxyphenyl)methylsulfanyl]-4-isoquinolin-3-yl-pyrazol-1-yl]-2-methyl-benzenesulfonamide Openeye Name: N-[3-[(4-ethoxyphenyl)methylsulfanyl]-4-(3-isoquinolyl)pyrazol-1-yl]-2-methyl-benzenesulfonamide CAS Name: N-[3-[(4-ethoxyphenyl)methylthio]-4-(3-isoquinolinyl)-1-pyrazolyl]-2-methylbenzenesulfonamide IUPAC Name: N-[3-[(4-ethoxyphenyl)methylsulfanyl]-4-isoquinolin-3-ylpyrazol-1-yl]-2-methylbenzenesulfonamide Traditional Name: N-[3-[(4-ethoxybenzyl)thio]-4-(3-isoquinolyl)pyrazol-1-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=NN(C=C2C3=CC4=CC=CC=C4C=N3)NS(=O)(=O)C5=CC=CC=C5C

Isomeric SMILES

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

InChI

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