(2-oxidanylidenecyclohexyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-oxocyclohexyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-ketocyclohexyl) ester Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3CCCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OC3CCCCC3=O

InChI

InChI=1S/C20H27NO6S/c1-26-18-11-10-15(28(24,25)21-12-6-2-3-7-13-21)14-16(18)20(23)27-19-9-5-4-8-17(19)22/h10-11,14,19H,2-9,12-13H2,1H3