5-(azepan-1-ylsulfonyl)-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 5-(1-azepanylsulfonyl)-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-3-hydroxy-2-naphthoic acid Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=C(C=C32)O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC3=CC(=C(C=C32)O)C(=O)O

InChI

InChI=1S/C17H19NO5S/c19-15-11-13-12(10-14(15)17(20)21)6-5-7-16(13)24(22,23)18-8-3-1-2-4-9-18/h5-7,10-11,19H,1-4,8-9H2,(H,20,21)