2-azanyl-5-ethyl-2-methylsulfonyl-6-oxidanyl-3-(thiophen-2-ylmethyl)undecanoic acid

Systemtic Name: 2-azanyl-5-ethyl-2-methylsulfonyl-6-oxidanyl-3-(thiophen-2-ylmethyl)undecanoic acid Openeye Name: 2-amino-5-ethyl-6-hydroxy-2-methylsulfonyl-3-(2-thienylmethyl)undecanoic acid CAS Name: 2-amino-5-ethyl-6-hydroxy-2-methylsulfonyl-3-(thiophen-2-ylmethyl)undecanoic acid IUPAC Name: 2-amino-5-ethyl-6-hydroxy-2-methylsulfonyl-3-(thiophen-2-ylmethyl)undecanoic acid Traditional Name: 2-amino-5-ethyl-6-hydroxy-2-mesyl-3-(2-thenyl)undecanoic acid Formula: C19H33NO5S2 MolecularWeight: 419.59902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC)CC(CC1=CC=CS1)C(C(=O)O)(N)S(=O)(=O)C)O

Isomeric SMILES

CCCCCC(C(CC)CC(CC1=CC=CS1)C(C(=O)O)(N)S(=O)(=O)C)O

InChI

InChI=1S/C19H33NO5S2/c1-4-6-7-10-17(21)14(5-2)12-15(13-16-9-8-11-26-16)19(20,18(22)23)27(3,24)25/h8-9,11,14-15,17,21H,4-7,10,12-13,20H2,1-3H3,(H,22,23)