3-(azepan-1-ylsulfonyl)-4-ethyl-benzoic acid

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-ethyl-benzoic acid Openeye Name: 3-(azepan-1-ylsulfonyl)-4-ethyl-benzoic acid CAS Name: 3-(1-azepanylsulfonyl)-4-ethylbenzoic acid IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-ethylbenzoic acid Traditional Name: 3-(azepan-1-ylsulfonyl)-4-ethyl-benzoic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2

InChI

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