5-(azepan-1-ylsulfonyl)-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethyl-benzoic acid Openeye Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethyl-benzoic acid CAS Name: 5-(1-azepanylsulfonyl)-2,4-dimethylbenzoic acid IUPAC Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethylbenzoic acid Traditional Name: 5-(azepan-1-ylsulfonyl)-2,4-dimethyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N2CCCCCC2)C

InChI

InChI=1S/C15H21NO4S/c1-11-9-12(2)14(10-13(11)15(17)18)21(19,20)16-7-5-3-4-6-8-16/h9-10H,3-8H2,1-2H3,(H,17,18)