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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide CAS Name: N-(4-bromo-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide IUPAC Name: N-(4-bromo-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionamide Formula: C18H18BrNO5S MolecularWeight: 440.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18BrNO5S/c1-12-10-13(19)2-4-15(12)20-18(21)6-9-26(22,23)14-3-5-16-17(11-14)25-8-7-24-16/h2-5,10-11H,6-9H2,1H3,(H,20,21)