1-naphthalen-2-ylsulfonylazepane-3-carboxylic acid

Systemtic Name: 1-naphthalen-2-ylsulfonylazepane-3-carboxylic acid Openeye Name: 1-(2-naphthylsulfonyl)azepane-3-carboxylic acid CAS Name: 1-(2-naphthalenylsulfonyl)-3-azepanecarboxylic acid IUPAC Name: 1-naphthalen-2-ylsulfonylazepane-3-carboxylic acid Traditional Name: 1-(2-naphthylsulfonyl)azepane-3-carboxylic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1CCN(CC(C1)C(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H19NO4S/c19-17(20)15-7-3-4-10-18(12-15)23(21,22)16-9-8-13-5-1-2-6-14(13)11-16/h1-2,5-6,8-9,11,15H,3-4,7,10,12H2,(H,19,20)