4,4-diethoxy-3-[(4-nitro-2-phenylmethoxy-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 4,4-diethoxy-3-[(4-nitro-2-phenylmethoxy-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(2-benzyloxy-4-nitro-phenyl)sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 4,4-diethoxy-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]butanoic acid IUPAC Name: 4,4-diethoxy-3-[(4-nitro-2-phenylmethoxyphenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2-benzoxy-4-nitro-phenyl)sulfonylamino]-4,4-diethoxy-butyric acid Formula: C21H26N2O9S MolecularWeight: 482.50414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H26N2O9S/c1-3-30-21(31-4-2)17(13-20(24)25)22-33(28,29)19-11-10-16(23(26)27)12-18(19)32-14-15-8-6-5-7-9-15/h5-12,17,21-22H,3-4,13-14H2,1-2H3,(H,24,25)