3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid

Systemtic Name: 3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid Openeye Name: 3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid CAS Name: 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-(4-methoxyphenyl)sulfonyl-2-azepanecarboxylic acid IUPAC Name: 3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-(4-methoxyphenyl)sulfonylazepane-2-carboxylic acid Traditional Name: 3-[(E)-3-ethoxy-3-keto-prop-1-enyl]-1-(4-methoxyphenyl)sulfonyl-azepane-2-carboxylic acid Formula: C19H25NO7S MolecularWeight: 411.4693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CCCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)/C=C/C1CCCCN(C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25NO7S/c1-3-27-17(21)12-7-14-6-4-5-13-20(18(14)19(22)23)28(24,25)16-10-8-15(26-2)9-11-16/h7-12,14,18H,3-6,13H2,1-2H3,(H,22,23)/b12-7+