N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-ethoxyphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: 2-(2-ethoxy-N-[4-(methylthio)phenyl]sulfonyl-anilino)-N-piperonyl-acetamide Formula: C25H26N2O6S2 MolecularWeight: 514.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC=CC=C1N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C25H26N2O6S2/c1-3-31-22-7-5-4-6-21(22)27(35(29,30)20-11-9-19(34-2)10-12-20)16-25(28)26-15-18-8-13-23-24(14-18)33-17-32-23/h4-14H,3,15-17H2,1-2H3,(H,26,28)