(2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-2-(tosylamino)butyramide Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C20H23BrN2O5S/c1-12(2)19(23-29(25,26)14-6-4-13(3)5-7-14)20(24)22-16-11-18-17(10-15(16)21)27-8-9-28-18/h4-7,10-12,19,23H,8-9H2,1-3H3,(H,22,24)/t19-/m0/s1