1-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]cyclohexanecarboxylic acid Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3(CCCCC3)C(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3(CCCCC3)C(=O)O

InChI

InChI=1S/C20H28N2O5S/c23-18(21-20(19(24)25)11-4-3-5-12-20)16-9-8-10-17(15-16)28(26,27)22-13-6-1-2-7-14-22/h8-10,15H,1-7,11-14H2,(H,21,23)(H,24,25)