1-naphthalen-2-ylsulfonylazepane-4-carboxylic acid

Systemtic Name: 1-naphthalen-2-ylsulfonylazepane-4-carboxylic acid Openeye Name: 1-(2-naphthylsulfonyl)azepane-4-carboxylic acid CAS Name: 1-(2-naphthalenylsulfonyl)-4-azepanecarboxylic acid IUPAC Name: 1-naphthalen-2-ylsulfonylazepane-4-carboxylic acid Traditional Name: 1-(2-naphthylsulfonyl)azepane-4-carboxylic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

C1CC(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)O

InChI

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