3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-N-(4-methylphenyl)sulfonyl-pyrazine-2-carboxamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-N-(4-methylphenyl)sulfonyl-pyrazine-2-carboxamide Openeye Name: 3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-N-(p-tolylsulfonyl)pyrazine-2-carboxamide CAS Name: 3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-N-(4-methylphenyl)sulfonyl-2-pyrazinecarboxamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-N-(4-methylphenyl)sulfonylpyrazine-2-carboxamide Traditional Name: 3-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]-N-tosyl-pyrazinamide Formula: C26H21N3O6S MolecularWeight: 503.52644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=NC=CN=C2C3=CC=C(C=C3)COC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=NC=CN=C2C3=CC=C(C=C3)COC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O6S/c1-17-2-9-21(10-3-17)36(31,32)29-26(30)25-24(27-12-13-28-25)19-6-4-18(5-7-19)15-33-20-8-11-22-23(14-20)35-16-34-22/h2-14H,15-16H2,1H3,(H,29,30)