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

Systemtic Name: 3-[[4-[4-(dimethylamino)butanoylamino]-2-oxidanyl-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid Openeye Name: 3-[[4-[4-(dimethylamino)butanoylamino]-2-hydroxy-phenyl]sulfonylamino]-4,4-diethoxy-butanoic acid CAS Name: 3-[[4-[[4-(dimethylamino)-1-oxobutyl]amino]-2-hydroxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid IUPAC Name: 3-[[4-[4-(dimethylamino)butanoylamino]-2-hydroxyphenyl]sulfonylamino]-4,4-diethoxybutanoic acid Traditional Name: 3-[[4-[4-(dimethylamino)butanoylamino]-2-hydroxy-phenyl]sulfonylamino]-4,4-diethoxy-butyric acid Formula: C20H33N3O8S MolecularWeight: 475.55632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)CCCN(C)C)O)OCC

Isomeric SMILES

CCOC(C(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)CCCN(C)C)O)OCC

InChI

InChI=1S/C20H33N3O8S/c1-5-30-20(31-6-2)15(13-19(26)27)22-32(28,29)17-10-9-14(12-16(17)24)21-18(25)8-7-11-23(3)4/h9-10,12,15,20,22,24H,5-8,11,13H2,1-4H3,(H,21,25)(H,26,27)