1-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]cyclohexanecarboxylic acid Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O5S/c21-16-9-8-15(18(24)22-20(19(25)26)10-4-3-5-11-20)14-17(16)29(27,28)23-12-6-1-2-7-13-23/h8-9,14H,1-7,10-13H2,(H,22,24)(H,25,26)