N-[(4-acetamidophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide Openeye Name: N-[(4-acetamidophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanamide CAS Name: N-[(4-acetamidophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butanamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanamide Traditional Name: N-(4-acetamidobenzyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butyramide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H27N3O6S2/c1-15(26)24-17-5-3-16(4-6-17)14-23-22(27)19(9-12-32-2)25-33(28,29)18-7-8-20-21(13-18)31-11-10-30-20/h3-8,13,19,25H,9-12,14H2,1-2H3,(H,23,27)(H,24,26)