2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[3-bromo-N-(p-tolylsulfonyl)anilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-(3-bromo-N-tosyl-anilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C23H21BrN2O5S MolecularWeight: 517.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H21BrN2O5S/c1-16-5-8-20(9-6-16)32(28,29)26(19-4-2-3-17(24)13-19)15-23(27)25-18-7-10-21-22(14-18)31-12-11-30-21/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)