3-(azepan-1-ylsulfonyl)-2,6-dimethyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-2,6-dimethyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-2,6-dimethyl-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-2,6-dimethylbenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-2,6-dimethylbenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-2,6-dimethyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCCCC2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCCCCC2)C)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-11-7-8-13(12(2)14(11)15(17)18)21(19,20)16-9-5-3-4-6-10-16/h7-8H,3-6,9-10H2,1-2H3,(H,17,18)