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

Systemtic Name: 2-[5-azanyl-3-ethylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanyl-pyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[5-amino-4-(benzenesulfonyl)-3-(ethylthio)-1-pyrazolyl]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[5-amino-4-(benzenesulfonyl)-3-ethylsulfanylpyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[5-amino-4-besyl-3-(ethylthio)pyrazol-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5S2/c1-2-30-20-18(31(26,27)14-6-4-3-5-7-14)19(21)24(23-20)11-17(25)22-13-8-9-15-16(10-13)29-12-28-15/h3-10H,2,11-12,21H2,1H3,(H,22,25)