5-[1-azanyl-5-(3-ethylphenoxy)-1-methylsulfonyl-pentyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[1-azanyl-5-(3-ethylphenoxy)-1-methylsulfonyl-pentyl]thiophene-2-carboxylic acid Openeye Name: 5-[1-amino-5-(3-ethylphenoxy)-1-methylsulfonyl-pentyl]thiophene-2-carboxylic acid CAS Name: 5-[1-amino-5-(3-ethylphenoxy)-1-methylsulfonylpentyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[1-amino-5-(3-ethylphenoxy)-1-methylsulfonylpentyl]thiophene-2-carboxylic acid Traditional Name: 5-[1-amino-5-(3-ethylphenoxy)-1-mesyl-pentyl]-2-thenoic acid Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCCCCC(C2=CC=C(S2)C(=O)O)(N)S(=O)(=O)C

Isomeric SMILES

CCC1=CC(=CC=C1)OCCCCC(C2=CC=C(S2)C(=O)O)(N)S(=O)(=O)C

InChI

InChI=1S/C19H25NO5S2/c1-3-14-7-6-8-15(13-14)25-12-5-4-11-19(20,27(2,23)24)17-10-9-16(26-17)18(21)22/h6-10,13H,3-5,11-12,20H2,1-2H3,(H,21,22)