(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H21NO7S/c1-14(20(23)21-15-5-3-2-4-6-15)28-19(22)9-12-29(24,25)16-7-8-17-18(13-16)27-11-10-26-17/h2-8,13-14H,9-12H2,1H3,(H,21,23)