3-(hydroxymethyl)-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid

Systemtic Name: 3-(hydroxymethyl)-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid Openeye Name: 3-(hydroxymethyl)-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid CAS Name: 3-(hydroxymethyl)-1-(4-methoxyphenyl)sulfonyl-2-azepanecarboxylic acid IUPAC Name: 3-(hydroxymethyl)-1-(4-methoxyphenyl)sulfonylazepane-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-methylol-azepane-2-carboxylic acid Formula: C15H21NO6S MolecularWeight: 343.39534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)O)CO

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2C(=O)O)CO

InChI

InChI=1S/C15H21NO6S/c1-22-12-5-7-13(8-6-12)23(20,21)16-9-3-2-4-11(10-17)14(16)15(18)19/h5-8,11,14,17H,2-4,9-10H2,1H3,(H,18,19)