(2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-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=C1Br)OCCO2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1Br)OCCO2)NS(=O)(=O)C3=CC=CC=C3

InChI

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