N-(3-acetamido-2-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide

Systemtic Name: N-(3-acetamido-2-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Openeye Name: N-(3-acetamido-2-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide CAS Name: N-(3-acetamido-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide IUPAC Name: N-(3-acetamido-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Traditional Name: N-(3-acetamido-2-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionamide Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-13-16(21-14(2)23)4-3-5-17(13)22-20(24)8-11-29(25,26)15-6-7-18-19(12-15)28-10-9-27-18/h3-7,12H,8-11H2,1-2H3,(H,21,23)(H,22,24)