3-[[4-[dimethylamino(ethyl)carbamoyl]-2-oxidanyl-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid

Systemtic Name: 3-[[4-[dimethylamino(ethyl)carbamoyl]-2-oxidanyl-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid Openeye Name: 3-[[4-[dimethylamino(ethyl)carbamoyl]-2-hydroxy-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 3-[[4-[[dimethylamino(ethyl)amino]-oxomethyl]-2-hydroxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid IUPAC Name: 3-[[4-[dimethylamino(ethyl)carbamoyl]-2-hydroxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid Traditional Name: 3-[[4-[dimethylamino(ethyl)carbamoyl]-2-hydroxy-phenyl]sulfonylamino]-4,4-diethoxy-butyric acid Formula: C19H31N3O8S MolecularWeight: 461.52974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(OCC)OCC)O)N(C)C

Isomeric SMILES

CCN(C(=O)C1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C(OCC)OCC)O)N(C)C

InChI

InChI=1S/C19H31N3O8S/c1-6-22(21(4)5)18(26)13-9-10-16(15(23)11-13)31(27,28)20-14(12-17(24)25)19(29-7-2)30-8-3/h9-11,14,19-20,23H,6-8,12H2,1-5H3,(H,24,25)