2-[5-azanyl-3-ethylsulfanyl-4-(4-methylphenyl)sulfonyl-pyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[5-azanyl-3-ethylsulfanyl-4-(4-methylphenyl)sulfonyl-pyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[5-amino-3-ethylsulfanyl-4-(p-tolylsulfonyl)pyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[5-amino-3-(ethylthio)-4-(4-methylphenyl)sulfonyl-1-pyrazolyl]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[5-amino-3-ethylsulfanyl-4-(4-methylphenyl)sulfonylpyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[5-amino-3-(ethylthio)-4-tosyl-pyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)N)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCSC1=NN(C(=C1S(=O)(=O)C2=CC=C(C=C2)C)N)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O5S2/c1-3-31-21-19(32(27,28)15-7-4-13(2)5-8-15)20(22)25(24-21)11-18(26)23-14-6-9-16-17(10-14)30-12-29-16/h4-10H,3,11-12,22H2,1-2H3,(H,23,26)