1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3(CCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3(CCCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O6S/c1-29-18-10-9-16(30(27,28)23-13-7-2-3-8-14-23)15-17(18)19(24)22-21(20(25)26)11-5-4-6-12-21/h9-10,15H,2-8,11-14H2,1H3,(H,22,24)(H,25,26)