[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C20H30N2O6S/c1-4-22(5-2)29(25,26)18-14-16(10-11-17(18)27-3)20(24)28-15-19(23)21-12-8-6-7-9-13-21/h10-11,14H,4-9,12-13,15H2,1-3H3