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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4,5-dimethyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-4,5-dimethyl-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-4,5-dimethylbenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-4,5-dimethylbenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-4,5-dimethyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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