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

Systemtic Name: 3-[(4-azanyl-2-phenylmethoxy-phenyl)sulfonylamino]-4,4-diethoxy-butanoic acid Openeye Name: 3-[(4-amino-2-benzyloxy-phenyl)sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 3-[(4-amino-2-phenylmethoxyphenyl)sulfonylamino]-4,4-diethoxybutanoic acid IUPAC Name: 3-[(4-amino-2-phenylmethoxyphenyl)sulfonylamino]-4,4-diethoxybutanoic acid Traditional Name: 3-[(4-amino-2-benzoxy-phenyl)sulfonylamino]-4,4-diethoxy-butyric acid Formula: C21H28N2O7S MolecularWeight: 452.52122

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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)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)N)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H28N2O7S/c1-3-28-21(29-4-2)17(13-20(24)25)23-31(26,27)19-11-10-16(22)12-18(19)30-14-15-8-6-5-7-9-15/h5-12,17,21,23H,3-4,13-14,22H2,1-2H3,(H,24,25)