(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylbutanamide Traditional Name: (2S)-2-(brosylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-butyramide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O5S/c1-12(2)18(22-28(24,25)15-6-3-13(20)4-7-15)19(23)21-14-5-8-16-17(11-14)27-10-9-26-16/h3-8,11-12,18,22H,9-10H2,1-2H3,(H,21,23)/t18-/m0/s1